data_2daj_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 2daj _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 ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m -109.34 157.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -89.24 110.57 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -108.54 149.31 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 9.4 t -99.55 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 40' ' ' ILE . 18.3 mm -108.7 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -81.79 127.04 32.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 41.1 p90 -144.51 152.88 41.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 14.0 9.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 9.8 mttp 44.0 30.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -151.72 -52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 46.3 mt-30 -94.74 153.52 17.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.53 152.75 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -139.96 162.44 35.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.47 141.9 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.99 155.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 108.58 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 m -139.56 170.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.06 129.8 82.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.66 20.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -70.26 -61.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.14 140.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.8 151.14 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 52.8 mt -50.86 -29.68 12.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -56.93 -34.7 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.66 -24.69 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.4 mt -94.9 10.14 36.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.532 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -67.18 -50.85 38.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.64 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mt -54.75 -30.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 15' ' ' ILE . 50.6 mt -88.46 -63.24 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -45.82 -46.53 15.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 108.318 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 68.0 m -55.02 -46.09 75.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -57.23 -29.73 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.489 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -109.96 22.21 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 39.16 34.28 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -86.18 168.57 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 1.5 t70 -100.84 109.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.21 10.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.62 -37.17 68.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 5.6 m-70 -138.93 57.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -121.1 142.21 50.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mt -115.98 159.65 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 84.3 mt -122.16 97.26 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 80' ' ' MET . 1.6 mm? -90.31 163.52 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' CD ' HD22 ' A' ' 63' ' ' LEU . 1.7 mmmm -51.72 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.49 170.67 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -44.88 -41.81 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -70.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.42 156.01 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -126.33 10.74 7.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.71 135.36 68.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.64 30.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.45 HD22 ' CD ' ' A' ' 55' ' ' LYS . 4.3 mt -94.06 170.46 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.03 116.7 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.6 -57.29 10.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.9 p -40.11 -35.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -82.71 142.59 31.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.0 174.79 5.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -49.39 -32.44 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.17 -58.91 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.18 -40.4 67.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -71.89 -58.9 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.16 34.62 5.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -123.59 160.08 27.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.22 -12.86 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -138.55 153.97 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.35 170.26 19.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 78.8 t80 -122.18 140.52 52.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.88 111.26 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.439 ' CB ' HD22 ' A' ' 54' ' ' LEU . 2.5 ttp -96.75 144.32 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.06 165.23 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 -91.13 110.86 22.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.23 145.47 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 19.9 t -96.9 135.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 40' ' ' ILE . 8.1 mm -124.96 95.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -85.37 125.0 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.3 p90 -144.48 168.61 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER 72.26 6.96 5.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' C ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER 58.91 44.71 16.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.457 ' CG2' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER 170.29 -48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 36.7 mt-30 -79.93 159.14 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.78 150.26 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 t -133.72 144.54 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.439 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 31.1 mm -103.34 139.09 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' N ' HG22 ' A' ' 24' ' ' ILE . 21.7 m -141.52 152.3 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.04 111.24 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.86 179.35 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.14 31.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.1 19.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.21 -63.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.598 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.65 150.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.53 149.84 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 31.9 mt -48.05 -27.09 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.56 -34.32 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.05 -20.12 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 mt -94.61 0.24 55.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.548 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -57.02 -50.04 90.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.538 1.81 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mt -57.47 -27.34 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 15' ' ' ILE . 48.4 mt -88.66 -61.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -50.29 -49.48 53.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 20.6 t -53.86 -43.7 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -58.05 -39.66 78.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.88 18.6 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 42.94 42.0 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.3 m-30 -97.68 176.03 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.79 115.34 59.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.36 11.11 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.81 -49.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.627 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -120.96 135.18 55.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mt -116.39 158.71 23.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 80.1 mt -122.13 102.61 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -99.32 166.8 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' HD23 ' A' ' 63' ' ' LEU . 1.5 mmmm -54.24 -53.32 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -161.08 177.91 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -58.24 -39.92 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -65.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 m -54.18 168.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -138.53 21.78 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.96 128.48 43.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 138.01 22.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD23 ' CD ' ' A' ' 55' ' ' LYS . 1.4 mt -88.97 167.21 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.24 103.55 15.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.511 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 17.0 mt -49.21 -45.42 44.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.6 p -43.06 -43.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -71.85 164.21 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -114.3 169.32 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.71 -31.01 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -73.21 -53.68 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.17 -47.4 78.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.3 -55.5 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.06 20.18 28.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.2 mt -104.25 143.83 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 18.7 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 2.9 pm0 -164.21 159.17 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -158.71 168.94 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -122.75 144.44 49.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.28 112.13 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.4 ttm -98.89 143.0 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.79 154.9 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 18.7 ptt180 -82.85 113.54 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -106.82 143.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 24' ' ' ILE . 79.1 t -89.91 104.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.97 103.21 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -89.97 123.66 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.0 p90 -144.74 171.86 13.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER 71.38 6.34 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' CG ' ' OH ' ' A' ' 78' ' ' TYR . 7.9 mttt 60.66 32.14 20.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -178.52 -47.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -76.69 161.74 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.96 152.46 35.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -140.67 147.56 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.445 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 14' ' ' VAL . 15.4 mm -100.96 140.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.0 m -142.27 153.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.6 109.04 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.38 172.96 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.07 129.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.89 16.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -86.43 -62.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.05 155.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.35 147.92 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 19.5 mt -50.56 -29.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -55.82 -34.95 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.5 -22.69 21.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 mt -94.84 9.83 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.534 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -67.79 -51.01 31.51 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.03 -43.71 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.1 mt -55.75 -26.0 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.4 mt -92.36 -62.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -48.6 -45.23 37.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.343 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 66.6 m -54.27 -43.92 71.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.949 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -57.66 -39.19 76.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -98.11 17.05 19.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 44.94 48.61 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 8.2 m-30 -103.4 -175.47 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.95 108.49 48.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.81 10.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.74 -36.51 73.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -139.38 58.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.584 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -120.97 141.71 50.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mt -113.56 158.34 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 80.7 mt -121.72 98.89 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -95.23 164.68 12.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.471 ' CD ' HD22 ' A' ' 63' ' ' LEU . 1.5 mmmm -56.17 -62.87 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -147.22 179.66 7.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.36 -49.63 69.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -68.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 149.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -121.74 20.41 10.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.01 118.58 70.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 132.25 15.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.471 HD22 ' CD ' ' A' ' 55' ' ' LYS . 1.4 mt -80.0 159.62 26.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.19 113.02 25.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.407 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 11.2 mt -57.66 -44.2 85.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -20.49 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -93.91 165.84 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.1 171.25 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.64 -32.35 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -69.74 -57.49 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.01 -57.44 10.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.73 -57.21 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.76 28.38 9.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 68.1 mt -108.69 147.94 31.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.61 -6.49 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -146.01 150.47 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.74 170.36 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.438 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 73.7 t80 -120.51 146.71 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.61 111.47 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.455 ' CB ' HD22 ' A' ' 54' ' ' LEU . 2.3 tpp -95.68 138.98 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.7 m -107.87 165.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -91.26 123.86 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -124.63 137.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG23 ' CD1' ' A' ' 24' ' ' ILE . 58.2 t -92.91 121.42 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.414 HD13 ' CG2' ' A' ' 40' ' ' ILE . 23.6 mm -103.78 94.1 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -85.54 125.76 33.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -143.66 156.56 44.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.54 9.34 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' CG2' ' A' ' 20' ' ' THR . 12.5 mtmm 46.02 34.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 16.0 p -156.49 -45.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.63 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 152.46 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -131.99 159.61 38.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.397 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' A' ' 14' ' ' VAL . 19.6 mm -113.21 140.37 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -142.37 154.37 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.18 111.01 22.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.98 170.66 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.77 135.69 48.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.94 -22.49 14.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -66.79 -61.44 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.638 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.74 145.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p -82.08 148.36 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 46.9 mt -47.93 -31.34 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -56.27 -34.16 66.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -91.72 -22.43 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.8 10.27 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.555 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -72.02 -49.76 9.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.0 Cg_endo -75.08 -42.83 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.18 -28.65 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.414 ' CG2' HD13 ' A' ' 15' ' ' ILE . 49.8 mt -88.79 -55.09 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.17 -49.19 67.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 108.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -56.27 -40.77 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -58.79 -40.95 85.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.3 17.44 18.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 43.23 44.95 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -96.31 -175.72 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' O ' ' OG1' ' A' ' 51' ' ' THR . 2.7 m-20 -114.29 110.51 47.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.72 10.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.56 -43.23 81.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.02 59.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 47' ' ' ASP . 1.8 m -121.17 135.01 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mt -111.67 166.13 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 76.9 mt -125.8 98.4 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 1.6 mm? -90.57 164.89 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.462 ' CD ' HD21 ' A' ' 63' ' ' LEU . 1.4 mmmm -53.1 -56.24 17.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -164.57 -176.44 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.3 -45.29 84.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.99 167.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -137.98 16.35 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.3 135.64 41.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 140.52 25.65 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 HD21 ' CD ' ' A' ' 55' ' ' LYS . 3.5 mt -91.24 162.48 14.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.58 104.8 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' CD2' HD12 ' A' ' 53' ' ' LEU . 71.5 mt -43.53 -53.58 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -40.88 -39.67 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.08 138.72 39.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 p -101.36 173.22 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.0 -29.87 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -73.59 -54.71 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.9 -49.72 76.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.4 -51.68 61.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.44 18.64 56.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.4 mt -109.24 145.96 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -110.3 -10.76 14.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -122.47 151.53 41.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.76 170.37 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -133.35 144.76 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.25 112.96 26.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 ttm -97.19 141.75 29.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.6 m -112.97 159.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -87.6 121.1 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -121.1 145.18 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 38.2 t -95.29 130.51 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.426 ' HB ' ' CG2' ' A' ' 23' ' ' THR . 13.0 mm -116.32 94.11 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.596 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 19.4 p90 -144.47 167.85 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' CG2' ' A' ' 20' ' ' THR . 1.0 OUTLIER 71.96 7.2 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HE2' ' CE2' ' A' ' 57' ' ' TYR . 0.5 OUTLIER 59.47 41.14 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER 173.46 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.59 155.67 31.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 150.12 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.426 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 14.3 t -136.44 142.23 43.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CD1' HG21 ' A' ' 14' ' ' VAL . 31.0 mm -100.46 146.19 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.43 154.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.16 108.64 19.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.54 -175.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.44 132.11 25.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.05 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -78.46 -59.13 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.95 149.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -83.58 154.93 23.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 51.6 mt -52.77 -34.79 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -53.18 -35.3 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.21 -23.32 21.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.5 mt -95.87 10.38 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.557 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -71.55 -49.67 11.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.03 -42.63 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.61 -28.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.8 mt -88.45 -60.4 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -50.62 -48.75 57.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 65.3 m -53.49 -44.9 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.51 -40.73 75.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.39 20.66 13.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 39.74 47.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.21 173.4 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -105.48 111.55 64.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.31 -49.87 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -129.21 60.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 m -121.06 137.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mt -111.85 159.24 18.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 82.1 mt -120.79 101.59 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -102.72 161.55 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' CG ' HD22 ' A' ' 63' ' ' LEU . 24.6 mtpt -55.04 -62.03 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.19 169.71 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.366 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.465 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 1.9 t80 -52.5 -36.25 54.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.24 158.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -128.6 13.28 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . 4.1 mt-10 -78.91 122.26 84.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.19 22.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD22 ' CG ' ' A' ' 55' ' ' LYS . 9.1 mt -89.39 151.87 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -90.53 109.41 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 p -39.16 -33.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ASP . 3.3 mmpt? -84.01 138.8 32.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -99.46 -177.43 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 1.7 mm? -61.43 -32.02 71.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.1 -48.87 40.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.19 -45.39 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.43 -70.87 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.6 9.62 11.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -104.32 151.31 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -110.77 -10.46 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -129.72 151.66 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.85 167.58 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.407 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 75.9 t80 -125.25 146.79 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.65 111.25 23.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 ttm -103.05 136.87 42.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.58 156.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ptt-85 -84.55 124.11 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -119.77 143.3 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 24' ' ' ILE . 37.7 t -89.97 112.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.453 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.0 mm -95.28 99.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -90.26 124.65 35.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 28.5 p90 -144.51 157.33 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 64.94 12.87 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' O ' ' CG2' ' A' ' 20' ' ' THR . 33.4 mtmt 44.77 31.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 16.1 p -154.79 -50.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 68.1 mt-30 -94.3 154.53 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.17 149.97 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -137.13 158.42 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 14' ' ' VAL . 21.9 mm -109.19 138.38 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG1' ' HG2' ' A' ' 43' ' ' LYS . 22.5 m -138.37 152.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 114.7 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.25 176.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.53 128.49 61.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -85.16 -63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.614 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.41 156.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.68 148.92 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 52.4 mt -50.09 -30.42 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.86 -34.64 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -92.18 -21.98 20.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.3 mt -96.44 10.37 38.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -75.57 -50.1 3.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -44.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.453 ' O ' ' CE ' ' A' ' 43' ' ' LYS . 3.2 mt -56.59 -24.62 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' CG2' HD12 ' A' ' 15' ' ' ILE . 57.4 mt -93.48 -53.3 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.22 -39.51 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -44.02 80.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -58.79 -40.77 84.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.501 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -94.69 15.21 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 108.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 42.35 39.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.1 m-30 -89.83 -172.45 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -121.11 112.97 32.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -64.19 -49.79 70.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -130.27 59.88 1.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.627 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -121.15 139.59 53.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -111.07 169.31 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 83.4 mt -129.68 96.89 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 1.3 mm? -93.63 158.93 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' CD ' ' CD2' ' A' ' 63' ' ' LEU . 5.5 mmmt -51.28 -57.19 9.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -158.38 -161.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -84.66 -37.43 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.63 -25.67 63.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -99.55 168.61 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -136.04 10.19 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.08 130.38 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.39 42.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.43 ' CD2' ' CD ' ' A' ' 55' ' ' LYS . 6.3 mt -107.95 167.05 10.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.34 105.67 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.482 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 12.4 mt -46.87 -50.88 17.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.2 p -40.08 -38.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 150.31 34.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -103.75 168.13 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 33' ' ' LEU . 2.5 mm? -54.4 -30.37 51.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -73.46 -56.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -53.44 -40.01 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.9 mt -76.62 -61.56 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 97.39 39.46 3.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.8 141.78 47.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -3.49 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.446 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 3.5 pm0 -150.34 150.31 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.13 170.46 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -124.35 143.21 50.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.73 111.02 23.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.45 ' CB ' HD22 ' A' ' 54' ' ' LEU . 5.1 ttp -99.97 152.18 20.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 29.4 m -109.64 153.6 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 20.6 ptt180 -82.04 119.62 24.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.22 143.94 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 24' ' ' ILE . 65.3 t -91.96 109.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -93.08 96.54 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -86.72 124.41 32.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 50.5 p90 -144.6 158.85 43.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mttm 67.41 10.3 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 20' ' ' THR . 6.0 mtmt 49.97 29.87 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 13.6 p -157.95 -53.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 66.4 mt-30 -86.89 157.19 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.72 150.37 30.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -137.38 143.46 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.473 HD13 ' CG2' ' A' ' 14' ' ' VAL . 15.0 mm -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -137.67 152.59 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.8 106.75 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 39' ' ' ILE . 4.6 m -133.97 171.53 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.35 133.0 51.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.98 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.68 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.36 147.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.09 150.77 30.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.9 mt -51.23 -32.85 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.61 -34.4 50.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -92.7 -23.05 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.3 mt -95.46 10.55 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.544 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -70.0 -50.42 16.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.473 HG22 ' CG1' ' A' ' 27' ' ' VAL . 3.0 mt -54.92 -30.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.4 mt -88.83 -55.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -49.99 -45.74 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 108.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 t -52.84 -49.74 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -40.13 66.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -97.04 20.13 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 108.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 38.58 35.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -88.46 174.67 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.87 112.44 63.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.0 -49.51 67.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.56 59.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -121.2 137.02 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.447 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mt -111.8 163.82 13.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 82.8 mt -123.29 98.17 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.474 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 1.1 mm? -97.12 166.88 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' CD ' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -58.13 -65.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.34 -177.83 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.93 -17.24 22.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.73 86.32 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 8.4 m -168.76 -48.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 64.74 16.18 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.47 119.12 52.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.25 33.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.477 HD22 ' CD ' ' A' ' 55' ' ' LYS . 4.1 mt -92.57 175.1 6.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.9 100.21 9.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 32.0 mt -47.69 -48.88 29.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.1 p -46.07 -33.48 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.9 172.93 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -125.13 165.38 18.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -52.3 -30.53 28.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.07 -52.49 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.04 -51.94 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.177 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.6 mt -65.85 -47.57 74.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.73 11.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.16 151.21 33.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.406 ' NH1' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -108.82 -17.72 13.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 24.6 pm0 -136.69 158.41 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -153.93 169.55 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -121.69 143.18 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.21 111.15 23.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.452 ' CB ' HD21 ' A' ' 54' ' ' LEU . 1.8 ttp -94.75 141.17 28.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.2 m -107.37 164.5 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.65 110.11 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.0 t -114.0 137.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.443 ' HB ' ' CG ' ' A' ' 76' ' ' GLU . 69.1 t -91.4 146.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 40' ' ' ILE . 13.8 mm -128.47 94.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 40.9 m-80 -83.36 118.65 23.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 23.8 p90 -144.5 168.86 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.6 OUTLIER 72.0 6.32 5.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' C ' ' CG2' ' A' ' 20' ' ' THR . 2.2 mtmt 57.3 43.73 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.32 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -80.68 150.06 29.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.24 154.73 36.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t -152.8 151.38 30.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -105.95 145.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 155.02 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -103.65 110.14 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.62 176.7 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.45 132.22 43.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.02 -25.09 12.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -62.99 -54.31 40.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.61 148.16 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.17 152.67 22.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 39.3 mt -51.31 -28.12 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -58.57 -37.74 76.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -89.04 -23.23 22.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -95.42 10.23 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.545 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -67.66 -50.37 35.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -56.3 -28.18 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.473 HG23 ' CD1' ' A' ' 15' ' ' ILE . 51.5 mt -89.34 -62.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -48.34 -46.32 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 59.3 m -57.29 -45.95 83.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.31 -26.78 65.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -110.57 18.48 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.75 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -100.3 -177.38 3.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.71 112.79 47.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.97 -49.71 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 59.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -120.98 133.85 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.48 159.68 16.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 78.7 mt -122.95 103.74 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -98.54 158.35 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HG2' ' CD2' ' A' ' 63' ' ' LEU . 6.7 mtpt -55.56 -47.8 75.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.94 168.19 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.25 -40.9 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -68.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.7 m -52.97 165.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -135.55 17.14 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -91.88 134.6 28.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.16 31.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.426 ' CD2' ' HG2' ' A' ' 55' ' ' LYS . 37.5 mt -91.94 148.1 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.47 108.96 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.4 mt -54.56 -52.15 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -28.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.84 143.74 27.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 168.94 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 1.7 mm? -57.76 -33.76 68.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.82 -43.99 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -65.45 -50.1 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.32 -54.17 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.01 28.75 22.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 63' ' ' LEU . 53.2 mt -115.78 116.93 28.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.22 9.52 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -145.73 154.52 42.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.45 170.34 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 63.0 t80 -131.74 148.26 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.82 111.28 23.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.8 ttm -105.9 131.5 53.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -112.91 165.96 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -88.42 112.64 23.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.42 139.52 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 24' ' ' ILE . 59.5 t -95.73 123.58 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 40' ' ' ILE . 22.1 mm -106.19 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -85.31 124.42 31.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 32.8 p90 -143.06 158.53 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 67.73 11.11 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 13.3 mtpt 44.52 30.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -153.63 -47.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -99.66 160.26 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.86 156.75 42.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.409 ' CG2' ' SG ' ' A' ' 44' ' ' CYS . 14.8 t -144.26 141.84 30.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.45 HD11 ' CG2' ' A' ' 14' ' ' VAL . 4.2 mm -98.69 144.25 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.41 153.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -105.48 107.36 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -128.27 171.19 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.51 134.57 33.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -10.14 21.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -79.17 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.24 150.6 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.95 150.98 23.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.5 mt -47.35 -33.2 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.72 -35.46 63.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -22.13 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.1 mt -95.66 10.28 37.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -71.45 -50.04 11.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -75.03 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.454 HG21 ' CG1' ' A' ' 27' ' ' VAL . 3.0 mt -55.09 -32.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 15' ' ' ILE . 60.4 mt -84.48 -65.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.3 m -45.05 -45.78 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 70.2 m -58.99 -39.49 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ILE . 20.0 mmtt -64.09 -24.38 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.409 ' SG ' ' CG2' ' A' ' 23' ' ' THR . 0.8 OUTLIER -116.98 20.49 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' CYS . 38.6 mt-10 38.79 41.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.2 m-30 -92.06 165.63 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -97.41 110.43 54.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.36 -15.88 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 50' ' ' HIS . 0.3 OUTLIER -155.46 53.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -120.07 136.16 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 mt -115.78 167.46 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 76.9 mt -129.56 107.97 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.14 170.9 7.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 59' ' ' SER . 6.9 mmmt -55.1 -55.75 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.31 -178.41 7.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.409 ' CD1' ' HG2' ' A' ' 19' ' ' LYS . 5.8 t80 -61.13 -23.59 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.97 53.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -150.99 166.08 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -134.62 13.27 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.09 115.67 65.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 128.54 11.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -78.39 159.55 28.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.62 121.7 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.56 -50.36 72.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.6 p -44.04 -33.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.21 151.1 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -100.92 171.74 7.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 73' ' ' GLY . 2.3 mm? -58.01 -28.76 64.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -72.55 -55.06 7.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -53.78 -40.64 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 33' ' ' LEU . 36.5 mt -76.96 -66.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 99.54 35.97 4.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.5 mt -125.17 122.49 37.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.91 -6.43 55.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -125.97 151.3 47.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.7 170.35 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CZ ' ' HG3' ' A' ' 19' ' ' LYS . 73.8 t80 -131.03 145.08 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.23 111.65 24.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.7 ttm -101.49 141.22 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.402 ' HB3' ' CE1' ' A' ' 50' ' ' HIS . 95.6 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -112.03 150.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.5 ptt180 -79.06 113.84 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -108.55 146.96 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 24' ' ' ILE . 56.1 t -93.3 124.81 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 40' ' ' ILE . 18.2 mm -113.25 94.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -85.42 124.48 32.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 40.1 p90 -144.52 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' O ' ' CG2' ' A' ' 20' ' ' THR . 3.0 mmtt 67.77 9.24 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' C ' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER 58.01 46.07 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.475 ' CG2' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER 167.88 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -75.05 150.07 39.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 153.3 41.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.442 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.3 t -144.2 150.47 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.473 HD13 ' CG2' ' A' ' 14' ' ' VAL . 30.8 mm -107.2 142.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 m -144.32 152.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.61 107.93 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 39' ' ' ILE . 1.3 m -134.99 164.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.32 133.44 64.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.59 -64.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.15 153.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.7 153.19 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' ' 77' ' ' LEU . 9.7 mt -50.18 -28.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -58.43 -34.73 71.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 3.3 mm-40 -94.31 -20.7 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.7 mt -96.96 10.27 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.558 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -71.23 -49.72 12.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -74.94 -41.0 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 HG23 ' CG1' ' A' ' 27' ' ' VAL . 3.2 mt -59.59 -28.23 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 15' ' ' ILE . 49.7 mt -87.9 -57.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.54 -49.45 67.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.3 t -56.57 -40.48 75.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 19.1 mmtt -58.27 -38.13 76.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.03 18.17 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.256 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 44.39 45.73 7.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -98.58 178.35 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 0.2 OUTLIER -106.2 105.79 55.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -1.1 10.78 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.6 mp -69.71 -34.96 74.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.423 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -140.02 58.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.562 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.2 m -120.99 137.61 54.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.21 160.03 18.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 82.9 mt -119.97 97.61 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.51 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -96.5 162.51 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' CD ' HD23 ' A' ' 63' ' ' LEU . 1.9 mmmm -52.64 -58.73 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -155.74 177.42 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.14 -48.04 74.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -62.68 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -56.42 161.34 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -130.67 11.73 5.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.53 123.92 82.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 144.86 30.54 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD23 ' CD ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -95.16 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 118.55 31.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.423 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 13.4 mt -64.37 -35.37 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -14.16 20.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -103.51 147.66 26.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 p -98.68 179.64 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -65.67 -30.1 70.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.75 -49.19 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -59.36 -48.71 80.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 33' ' ' LEU . 25.0 mt -66.23 -52.26 49.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.21 28.78 10.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.25 158.07 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.71 6.33 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -152.01 164.93 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -160.66 170.48 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 89.4 t80 -122.04 142.45 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.98 111.39 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.7 ttm -96.04 141.22 29.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -105.96 154.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 14.4 ptt180 -85.12 114.06 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.79 141.26 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 30.7 t -93.28 106.92 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 40' ' ' ILE . 25.9 mm -94.96 100.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -91.51 129.29 37.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 33.2 p90 -144.38 155.02 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 69.98 7.87 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HE2' ' CE2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER 52.29 29.88 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 36.0 p -155.9 -49.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 72.3 mt-30 -94.13 154.68 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 153.76 36.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -138.06 146.4 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 14' ' ' VAL . 28.0 mm -100.98 144.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -143.3 153.35 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -112.66 110.88 21.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.409 HG12 ' CG2' ' A' ' 39' ' ' ILE . 3.1 m -139.66 172.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 130.33 73.24 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.89 21.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -72.19 -63.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.77 143.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -77.97 149.99 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 26.0 mt -49.53 -29.81 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -55.27 -34.97 64.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -91.76 -22.05 20.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.75 7.51 46.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.562 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -67.77 -49.37 38.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -74.98 -43.93 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.409 ' CG2' HG12 ' A' ' 27' ' ' VAL . 2.9 mt -55.02 -35.67 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CG2' HD12 ' A' ' 15' ' ' ILE . 43.8 mt -80.69 -62.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -46.36 -48.94 18.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 43.5 t -51.75 -54.06 32.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -52.95 -34.93 57.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -100.18 20.36 14.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.338 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' CYS . 5.8 mt-10 38.09 35.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -93.84 163.11 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' OG1' ' A' ' 51' ' ' THR . 0.7 OUTLIER -98.06 112.83 62.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -46.91 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.03 58.57 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.554 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 47' ' ' ASP . 3.8 m -113.23 146.77 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.04 160.62 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 94.3 mt -122.18 104.77 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -98.83 164.85 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' CD ' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -52.48 -64.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.3 -173.3 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 3.4 t80 -59.96 -40.11 87.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -73.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -55.75 166.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -135.54 14.23 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 134.13 61.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.59 23.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 3.6 mt -91.04 158.38 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.08 123.87 36.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 67' ' ' LYS . 15.5 mt -58.46 -57.81 11.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -39.6 -31.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -84.22 142.57 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -110.38 170.8 7.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.5 mm? -49.73 -29.59 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -73.45 -51.27 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -52.0 66.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.61 -52.69 56.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.91 22.44 30.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.6 mt -106.31 159.52 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -123.89 11.07 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -154.23 152.87 30.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.69 169.78 23.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -125.38 147.72 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.95 111.32 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.6 ttm -100.4 133.36 44.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.59 155.67 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 13.9 ptp180 -85.06 115.64 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -107.4 144.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.469 ' CG2' HD13 ' A' ' 24' ' ' ILE . 71.7 t -94.12 116.48 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' ' 40' ' ' ILE . 21.4 mm -104.39 99.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.54 123.18 32.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 21.4 p90 -144.44 170.66 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' CG2' ' A' ' 20' ' ' THR . 7.3 mttt 71.32 6.94 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 mttt 58.93 39.47 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 175.04 -46.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.372 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 16.6 mt-30 -78.68 154.49 30.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.85 149.8 31.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.9 t -136.35 163.13 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.469 HD13 ' CG2' ' A' ' 14' ' ' VAL . 28.7 mm -115.84 145.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.7 m -146.48 153.21 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -111.91 109.9 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.459 ' CG1' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -135.52 -177.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.64 126.58 59.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -87.19 -48.81 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.19 153.26 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 146.68 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 50.7 mt -47.41 -36.17 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.78 -35.65 32.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.77 -22.93 21.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.44 10.35 36.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.546 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -70.06 -50.23 16.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.459 HG22 ' CG1' ' A' ' 27' ' ' VAL . 3.1 mt -56.26 -31.56 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.446 HG21 ' CD1' ' A' ' 15' ' ' ILE . 44.6 mt -85.49 -60.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -52.13 30.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 67.0 m -51.95 -48.78 64.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -51.55 -39.41 57.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.51 22.99 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 38.9 46.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.0 169.91 8.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.416 ' O ' ' OG1' ' A' ' 51' ' ' THR . 0.5 OUTLIER -106.79 114.34 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.19 9.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.02 -49.74 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 60.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 47' ' ' ASP . 18.1 m -121.08 148.64 43.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 mt -124.1 168.26 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 95.3 mt -129.64 100.69 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -103.75 164.39 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' CG ' HD23 ' A' ' 63' ' ' LEU . 14.6 mtpt -59.38 -50.77 72.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -155.06 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.87 -35.99 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -70.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -40.45 152.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -123.57 25.33 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.57 118.47 63.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.95 22.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.408 HD23 ' CG ' ' A' ' 55' ' ' LYS . 3.1 mt -80.78 158.24 25.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 109.38 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -56.27 -37.62 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -13.31 22.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -99.46 178.9 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 p -130.44 162.8 28.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.01 -31.21 12.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.37 -55.64 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.28 -42.61 66.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.9 -67.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.75 16.47 9.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.3 mt -103.83 146.25 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.77 -9.35 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -136.37 153.53 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.65 168.23 22.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.84 144.91 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.57 111.35 24.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.415 ' CB ' HD22 ' A' ' 54' ' ' LEU . 33.6 ttm -98.16 141.99 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 m -109.02 153.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -81.12 117.97 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -110.44 140.9 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 24' ' ' ILE . 16.2 t -94.78 112.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -97.77 108.92 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -95.69 125.02 39.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 35.2 p90 -144.45 155.32 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mttt 69.29 8.29 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 20' ' ' THR . 17.0 mttp 51.02 29.49 4.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 37.3 p -156.71 -52.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 60.0 mt-30 -89.42 159.53 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.49 153.26 34.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 t -137.79 138.88 39.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 14' ' ' VAL . 27.5 mm -95.79 147.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.7 m -150.05 153.43 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.88 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.49 -178.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.54 130.88 47.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.53 20.78 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.25 -64.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.65 148.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.55 149.75 27.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 6.5 mt -49.93 -32.88 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.15 -34.76 58.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.67 -23.24 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.9 mt -96.07 10.3 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.555 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -68.81 -49.83 25.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.02 -41.03 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.767 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.441 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 3.2 mt -58.73 -30.11 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.5 mt -86.39 -58.88 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -50.1 61.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -55.09 -39.75 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 26.3 mmtt -62.11 -35.94 80.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.528 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.14 12.7 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 50.92 39.37 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -98.09 179.6 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.02 117.6 43.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.75 -49.79 73.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.73 60.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.634 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 52' ' ' LEU . 2.4 m -120.79 145.64 47.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' N ' HG21 ' A' ' 51' ' ' THR . 6.3 mt -128.01 160.01 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 83.7 mt -120.91 101.1 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 80' ' ' MET . 1.7 mm? -92.15 156.94 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' CD ' HD23 ' A' ' 63' ' ' LEU . 3.4 mmmt -48.37 -67.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -145.85 167.87 22.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.64 -47.34 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.47 -63.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 56' ' ' ASP . 36.7 t -55.12 135.16 49.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.9 -6.44 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 126.94 92.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.5 24.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.803 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.447 HD23 ' CD ' ' A' ' 55' ' ' LYS . 7.5 mt -108.6 178.59 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.25 108.96 18.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.27 -24.63 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 p -73.27 -10.0 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 mmpp? -103.48 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -125.03 166.13 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.27 -28.5 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.78 -46.05 47.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.7 -39.78 91.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 mt -75.11 -52.21 11.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.97 25.52 26.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 mt -112.47 146.44 38.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -112.54 9.74 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -153.61 154.4 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.3 167.02 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -116.2 146.67 42.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.93 111.02 23.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.456 ' CB ' HD21 ' A' ' 54' ' ' LEU . 1.7 ttp -97.91 146.22 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -122.14 154.51 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.4 ptp180 -81.24 115.22 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -108.72 142.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 24' ' ' ILE . 48.1 t -91.04 110.62 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.462 HD11 ' CG2' ' A' ' 40' ' ' ILE . 12.5 mm -100.22 97.95 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -87.88 123.55 32.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.599 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 23.4 p90 -144.56 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.1 OUTLIER 71.55 7.05 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' CG ' ' OH ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER 58.22 42.59 21.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.63 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -80.44 157.31 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.75 150.69 32.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -138.8 148.44 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 14' ' ' VAL . 25.6 mm -102.56 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 m -143.24 154.08 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 107.09 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 m -138.04 168.58 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.82 123.4 89.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -75.05 -56.47 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.578 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.55 146.45 27.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' CD2' HD21 ' A' ' 77' ' ' LEU . 12.7 mt -46.78 -32.54 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -53.81 -33.87 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -92.9 -22.94 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.0 mt -95.75 10.09 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -69.53 -50.66 18.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.421 1.748 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.1 mt -55.66 -26.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 ' CG2' HD11 ' A' ' 15' ' ' ILE . 60.0 mt -92.71 -62.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.3 m -47.65 -45.24 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 47.6 t -52.75 -41.03 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -58.12 -44.69 87.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -96.34 16.76 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.0 mt-10 45.83 46.35 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 7.2 m-30 -99.52 170.59 8.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' THR . 22.3 p-10 -98.75 109.77 54.67 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.93 10.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 mt -85.3 -37.49 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.98 42.68 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.2 m -121.02 140.92 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mt -113.39 168.01 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 88.2 mt -124.64 102.94 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -100.28 158.3 15.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CD ' HD23 ' A' ' 63' ' ' LEU . 2.6 mmmm -51.75 -59.2 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.45 -173.91 4.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.457 ' CD2' ' HG3' ' A' ' 58' ' ' GLN . 9.4 t80 -63.05 -24.77 68.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.457 ' HG3' ' CD2' ' A' ' 57' ' ' TYR . 4.4 mt-30 -128.53 83.23 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -155.08 -47.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 64.24 24.5 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.38 115.9 44.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.59 23.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 HD23 ' CD ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -89.33 -174.59 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.42 105.32 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 15.4 mt -51.09 -48.33 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 64.4 p -44.61 -39.39 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.45 165.32 25.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.48 165.17 13.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.85 -35.69 61.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.3 -48.24 57.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.39 -54.35 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.03 -54.02 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.71 25.59 13.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.11 150.96 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.87 17.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 4.8 pm0 -162.15 156.45 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -161.67 170.56 19.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.433 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 44.3 t80 -124.79 151.28 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.49 114.7 26.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.401 ' CB ' HD22 ' A' ' 54' ' ' LEU . 32.6 ttm -103.48 142.0 35.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.3 m -110.17 151.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -83.29 109.48 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.0 t -104.08 145.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.485 ' CG2' ' CD1' ' A' ' 24' ' ' ILE . 66.0 t -99.18 123.39 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.1 mm -108.73 94.2 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.73 126.18 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 38.7 p90 -144.62 165.37 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER 69.8 8.53 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 mttt 60.51 37.74 19.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER 179.76 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -67.85 144.5 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -143.93 150.11 37.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 t -137.7 140.19 40.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.485 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 30.4 mm -97.64 141.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 m -144.54 153.84 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -109.25 114.67 28.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -137.37 -174.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.95 130.84 31.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.41 21.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -73.95 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.66 152.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.98 151.76 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 15.3 mt -51.37 -29.21 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -57.85 -34.36 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.37 -22.33 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.1 10.25 38.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.549 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -66.54 -49.95 49.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.05 -44.06 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.47 HG21 ' CG1' ' A' ' 27' ' ' VAL . 2.9 mt -53.8 -35.7 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.471 ' CG2' HD12 ' A' ' 15' ' ' ILE . 30.9 mt -82.09 -64.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.2 m -43.97 -44.69 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 34.9 t -51.15 -57.4 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -36.17 62.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -94.92 17.38 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.2 mt-10 38.44 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -87.52 167.73 13.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.86 112.53 63.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 0.4 OUTLIER -65.93 -49.83 66.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -129.19 60.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -121.06 143.23 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.19 172.39 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 81.9 mt -132.69 103.35 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.6 164.23 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CD ' HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.74 -161.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.17 -38.69 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -53.62 55.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 p -83.71 179.81 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -141.27 18.28 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.06 125.5 90.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.76 29.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.455 HD22 ' CD ' ' A' ' 55' ' ' LYS . 1.2 mt -95.01 168.82 10.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.08 107.41 19.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.511 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 15.1 mt -53.42 -40.5 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 p -51.09 -36.47 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -77.62 167.78 21.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -121.14 167.79 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.86 -30.19 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.0 -49.56 28.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.84 -42.92 94.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 mt -73.84 -58.8 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.68 28.37 10.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.7 mt -107.74 140.36 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -107.02 17.33 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 77' ' ' LEU . 2.7 tm-20 -163.86 150.05 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.427 ' CA ' ' OE2' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -153.77 170.4 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -123.68 140.35 53.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.67 114.37 28.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 ttm -100.17 143.35 30.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.463 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 35.0 m -117.17 161.38 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -84.85 111.09 19.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.2 t -105.98 142.63 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.431 ' CG2' HD11 ' A' ' 24' ' ' ILE . 70.8 t -100.35 103.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.428 HD13 ' CG2' ' A' ' 40' ' ' ILE . 24.1 mm -85.59 119.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -112.5 125.03 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.8 p90 -142.66 154.94 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 70.84 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 28.1 mtpt 53.26 31.95 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 34.9 p -156.66 -58.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -86.76 152.67 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 147.16 28.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 t -126.51 150.89 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.431 HD11 ' CG2' ' A' ' 14' ' ' VAL . 5.4 mm -105.82 139.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.454 HG11 ' CB ' ' A' ' 43' ' ' LYS . 25.3 m -145.44 153.69 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -108.99 107.53 17.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 39' ' ' ILE . 1.9 m -131.77 169.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.02 132.58 47.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.463 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.04 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -85.15 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.62 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.62 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.7 mt -49.75 -35.08 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -51.21 -34.86 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 3.7 mm-40 -90.68 -22.94 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.9 mt -95.95 10.46 37.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.555 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -74.11 -49.82 5.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -44.01 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.474 HG23 ' CG1' ' A' ' 27' ' ' VAL . 3.2 mt -56.6 -26.89 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 ' CG2' HD13 ' A' ' 15' ' ' ILE . 54.0 mt -90.15 -59.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -50.55 -49.02 57.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -53.77 -44.65 70.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CB ' HG11 ' A' ' 25' ' ' VAL . 21.8 mmtt -57.62 -38.33 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.99 17.99 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 44.07 37.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -92.72 167.13 12.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 0.7 OUTLIER -100.07 113.4 65.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.8 -39.71 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.17 59.27 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 52' ' ' LEU . 3.4 m -120.94 145.21 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' N ' HG23 ' A' ' 51' ' ' THR . 7.8 mt -124.37 163.33 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 90.2 mt -126.81 110.41 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.94 169.13 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 59' ' ' SER . 1.5 mmmm -53.82 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.02 -175.94 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 58' ' ' GLN . 5.0 t80 -59.19 -15.44 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.536 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 6.6 mm-40 -138.88 90.87 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 18.1 t -160.27 -49.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 68.91 26.03 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -124.08 125.47 25.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.77 24.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.47 HD21 ' CD ' ' A' ' 55' ' ' LYS . 1.6 mt -89.53 -179.78 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.55 108.59 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -51.59 -46.06 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.7 p -47.72 -35.35 9.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.37 -175.51 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 p -141.98 169.29 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -52.55 -30.95 33.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -58.21 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -41.49 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.25 -61.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.97 23.83 8.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.4 mt -109.06 155.46 20.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -111.88 -20.44 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 12.6 pm0 -130.14 149.71 51.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.408 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -141.95 165.91 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 86.2 t80 -116.94 144.32 44.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.69 111.14 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttm -95.68 126.63 41.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.34 158.01 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.6 ptp180 -87.84 116.91 26.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.1 145.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 24' ' ' ILE . 54.2 t -90.42 112.56 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 40' ' ' ILE . 9.7 mm -100.21 96.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.52 122.47 32.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.597 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 24.5 p90 -144.67 172.14 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' CG2' ' A' ' 20' ' ' THR . 6.4 mttt 71.56 6.8 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' CG ' ' OH ' ' A' ' 78' ' ' TYR . 11.7 mttt 59.46 40.05 21.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.41 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 173.2 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.74 154.63 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.25 150.51 30.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.2 t -140.58 160.39 40.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 14' ' ' VAL . 25.7 mm -112.04 139.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -140.09 153.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.81 109.3 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -136.26 176.83 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -84.31 128.38 62.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -79.7 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 147.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.71 149.35 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.2 mt -49.76 -29.66 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -56.54 -33.8 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -93.21 -24.54 18.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.52 10.56 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -70.34 -50.17 15.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.6 Cg_endo -74.94 -42.75 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.425 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.7 mt -55.03 -36.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 15' ' ' ILE . 29.2 mt -80.08 -62.16 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.56 -40.75 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 25.8 t -56.04 -49.47 73.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 39' ' ' ILE . 2.8 mptp? -54.63 -39.99 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 1.2 m -95.6 18.04 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' CYS . 3.7 mt-10 37.75 42.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.3 m-30 -90.18 -170.93 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -118.44 109.72 39.98 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 -48.55 67.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.72 59.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -121.03 135.24 55.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -109.32 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.0 mt -132.72 98.11 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.9 164.28 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' CD ' HD21 ' A' ' 63' ' ' LEU . 7.0 mmmt -55.78 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.93 -176.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -64.35 -23.51 67.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -131.83 86.45 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.71 -46.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 69.68 26.08 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -116.09 113.21 41.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.92 33.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD21 ' CD ' ' A' ' 55' ' ' LYS . 3.3 mt -92.52 171.19 9.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.12 100.79 11.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mt -44.93 -53.72 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.3 p -41.45 -32.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -86.81 153.3 21.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -106.67 174.83 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 2.0 mm? -59.65 -31.85 69.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.66 -49.8 56.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -61.06 -53.26 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.99 -40.85 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.42 33.1 36.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.9 mt -114.16 163.1 15.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.14 1.64 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 19.0 pm0 -151.64 156.35 40.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.78 170.4 21.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.432 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 86.8 t80 -122.19 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.5 111.02 23.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.452 ' CB ' HD23 ' A' ' 54' ' ' LEU . 1.7 ttp -98.12 140.23 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.3 m -113.5 153.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 24.7 ptt85 -84.07 121.1 26.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.8 t -118.7 147.16 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 43.7 t -92.74 129.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.93 96.08 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -84.79 124.47 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 18.4 p90 -143.72 154.62 43.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER 71.27 6.66 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 20' ' ' THR . 3.6 mtmp? 53.42 29.57 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 36.4 p -156.79 -54.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.43 157.59 18.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.2 151.12 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -137.63 152.64 49.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.455 ' CD1' HG22 ' A' ' 14' ' ' VAL . 22.0 mm -106.03 151.18 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 m -150.71 153.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.36 108.11 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.469 ' CG1' HG22 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -130.29 177.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.35 129.57 50.92 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -85.63 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.644 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.71 155.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 m -84.93 158.99 20.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 38.0 mt -56.01 -38.3 70.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -36.38 23.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.6 -23.67 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.5 mt -95.67 10.46 36.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -72.06 -50.06 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -43.61 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.469 HG22 ' CG1' ' A' ' 27' ' ' VAL . 3.2 mt -56.63 -26.67 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.6 mt -90.81 -59.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -50.63 -47.39 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 33.0 t -56.29 -41.39 75.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -60.39 -37.82 82.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.4 15.27 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' CYS . 21.5 mt-10 44.89 43.39 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -96.35 177.8 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.88 106.58 53.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -1.29 11.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -48.71 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -129.55 60.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.57 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -120.97 138.13 54.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -112.73 169.82 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 80.8 mt -129.35 96.8 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD23 ' CB ' ' A' ' 80' ' ' MET . 1.6 mm? -90.94 161.59 15.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.474 ' CD ' HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -51.99 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.09 168.47 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.98 -40.02 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -101.67 73.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -171.01 152.56 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -122.04 23.98 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.32 115.37 63.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 142.66 27.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.474 HD22 ' CD ' ' A' ' 55' ' ' LYS . 15.6 mt -89.46 157.68 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -89.63 100.58 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.2 mt -41.45 -56.5 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.6 p -41.5 -37.42 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 4.1 mmpt? -72.79 151.65 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -106.95 161.72 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.16 -28.94 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -57.08 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -51.81 -42.18 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -73.69 -51.44 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.34 35.21 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.6 mt -121.37 156.55 32.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -117.82 -6.69 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -138.25 150.38 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.59 170.38 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -121.53 142.79 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.6 111.14 23.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.456 ' CB ' HD23 ' A' ' 54' ' ' LEU . 2.1 tpp -97.55 136.86 37.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.37 161.02 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.0 ptp180 -86.49 115.91 24.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.9 t -118.99 130.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 24' ' ' ILE . 83.6 t -89.62 134.99 27.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -112.81 107.64 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.15 116.3 22.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.1 p90 -144.76 163.67 33.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.3 OUTLIER 72.45 5.17 5.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HE2' ' CD2' ' A' ' 57' ' ' TYR . 15.8 mttt 57.11 43.09 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.78 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.6 mt-30 -80.22 151.95 29.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.65 156.19 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 t -149.16 139.12 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.463 HG12 ' CG2' ' A' ' 14' ' ' VAL . 3.6 mt -100.25 147.74 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.52 153.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.48 107.78 18.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.85 179.12 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.32 127.01 67.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.93 20.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -77.51 -63.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.82 148.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.6 150.21 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' ALA . 30.5 mt -49.14 -32.81 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -54.4 -35.09 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.45 -24.23 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.2 mt -95.45 10.3 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.544 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -66.56 -50.16 47.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -42.52 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.33 -28.48 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -88.41 -58.54 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -49.0 62.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 10.1 t -56.7 -41.29 77.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -59.89 -37.33 79.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.07 20.37 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 40.56 45.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.1 m-30 -98.86 -174.28 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 51' ' ' THR . 0.7 OUTLIER -118.41 113.79 36.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -49.7 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 47' ' ' ASP . 1.4 m -121.58 130.87 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.25 171.52 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.2 mt -128.26 96.82 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 1.2 mm? -93.83 151.57 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -54.65 -57.27 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.28 171.11 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.481 ' CD2' ' HE2' ' A' ' 19' ' ' LYS . 5.2 t80 -68.92 -14.66 63.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -105.18 -15.63 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 6.3 m -93.09 -49.99 5.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' GLU . 38.3 mm-40 77.96 -53.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -38.38 129.55 1.06 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.05 37.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.434 HD21 ' CD ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -97.97 176.06 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 115.06 29.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.92 -45.58 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -52.39 -27.96 17.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -89.64 172.36 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -121.98 176.3 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.93 -31.09 71.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.89 -51.07 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.27 79.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mt -69.71 -68.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.29 30.99 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.7 mt -118.58 155.6 30.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.09 -25.4 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -129.43 168.82 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.75 169.02 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -119.05 134.9 54.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.75 120.64 42.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.463 ' HB2' ' CD2' ' A' ' 54' ' ' LEU . 1.9 tpp -105.62 143.77 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.405 ' HB ' ' N ' ' A' ' 27' ' ' VAL . 1.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.49 152.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.73 106.01 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -103.25 140.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.529 ' CG2' ' CD1' ' A' ' 24' ' ' ILE . 60.7 t -95.04 134.11 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.449 ' HB ' ' CG2' ' A' ' 23' ' ' THR . 15.2 mm -118.42 94.25 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' ND2' ' OE2' ' A' ' 76' ' ' GLU . 62.1 m-80 -85.88 122.43 29.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.4 p90 -144.58 169.85 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 20' ' ' THR . 14.6 mttt 71.71 6.5 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' CG2' ' A' ' 20' ' ' THR . 3.6 mttt 58.67 40.53 23.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER 175.47 -48.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.9 mm-40 -78.34 154.06 31.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.82 150.22 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.449 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.5 t -135.39 157.79 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.529 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 27.5 mm -114.37 136.17 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.9 m -143.8 150.07 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.09 131.23 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' N ' ' HB ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -156.34 172.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 132.7 44.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -17.13 19.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -74.82 -55.34 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.72 144.42 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.36 146.04 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 25.0 mt -46.34 -31.56 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -54.63 -35.0 62.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.93 -23.61 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.0 mt -95.49 10.27 37.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -68.41 -49.95 29.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.0 -43.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -56.68 -27.42 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.6 mt -89.79 -61.53 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -49.83 -48.7 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 23.2 t -53.57 -46.14 70.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -54.84 -38.82 67.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.591 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.66 20.81 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 39.29 36.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -85.59 174.14 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.44 107.45 53.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.42 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.43 -49.51 66.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.18 60.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -120.92 145.62 47.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 mt -120.88 168.75 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 85.8 mt -126.69 103.01 7.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.62 164.18 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CD ' HD22 ' A' ' 63' ' ' LEU . 1.8 mmmm -54.88 -52.02 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.04 -156.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.94 -20.53 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.93 83.51 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.221 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -177.75 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 72.64 3.88 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.07 117.35 68.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 146.78 32.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.469 HD22 ' CD ' ' A' ' 55' ' ' LYS . 5.3 mt -99.12 173.58 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 119.16 38.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.434 ' CD2' HD11 ' A' ' 53' ' ' LEU . 19.3 mt -61.73 -42.74 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -51.64 -21.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -94.6 168.09 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 p -123.99 171.89 9.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -57.65 -31.13 65.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -70.66 -48.69 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.77 -48.6 81.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.92 -48.86 64.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.9 29.49 28.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.0 mt -114.14 164.36 13.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 8.46 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE2' ' ND2' ' A' ' 16' ' ' ASN . 32.6 tt0 -144.8 144.58 31.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -155.45 170.57 21.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -126.42 152.71 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.77 113.84 22.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.8 ttm -106.38 122.61 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.27 120.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -43.86 -59.03 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.01 94.76 1.39 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -85.38 118.43 24.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.35 143.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.18 60.07 0.68 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -113.0 -174.36 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 mttp 51.94 58.91 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -119.89 149.14 42.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m -109.34 157.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -89.24 110.57 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -108.54 149.31 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 9.4 t -99.55 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 40' ' ' ILE . 18.3 mm -108.7 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -81.79 127.04 32.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 41.1 p90 -144.51 152.88 41.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 14.0 9.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 9.8 mttp 44.0 30.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -151.72 -52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 46.3 mt-30 -94.74 153.52 17.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.53 152.75 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -139.96 162.44 35.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.47 141.9 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.99 155.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 108.58 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 m -139.56 170.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.06 129.8 82.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.66 20.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -70.26 -61.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.14 140.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.8 151.14 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 52.8 mt -50.86 -29.68 12.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -56.93 -34.7 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.66 -24.69 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.4 mt -94.9 10.14 36.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.532 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -67.18 -50.85 38.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.64 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mt -54.75 -30.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 15' ' ' ILE . 50.6 mt -88.46 -63.24 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -45.82 -46.53 15.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 108.318 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 68.0 m -55.02 -46.09 75.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -57.23 -29.73 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.489 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -109.96 22.21 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 39.16 34.28 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -86.18 168.57 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 1.5 t70 -100.84 109.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.21 10.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.62 -37.17 68.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 5.6 m-70 -138.93 57.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -121.1 142.21 50.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mt -115.98 159.65 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 84.3 mt -122.16 97.26 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 80' ' ' MET . 1.6 mm? -90.31 163.52 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' CD ' HD22 ' A' ' 63' ' ' LEU . 1.7 mmmm -51.72 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.49 170.67 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -44.88 -41.81 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -70.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.42 156.01 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -126.33 10.74 7.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.71 135.36 68.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.64 30.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.45 HD22 ' CD ' ' A' ' 55' ' ' LYS . 4.3 mt -94.06 170.46 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.03 116.7 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.6 -57.29 10.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.9 p -40.11 -35.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -82.71 142.59 31.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.0 174.79 5.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -49.39 -32.44 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.17 -58.91 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.18 -40.4 67.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -71.89 -58.9 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.16 34.62 5.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -123.59 160.08 27.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.22 -12.86 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -138.55 153.97 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.35 170.26 19.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 78.8 t80 -122.18 140.52 52.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.88 111.26 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.439 ' CB ' HD22 ' A' ' 54' ' ' LEU . 2.5 ttp -96.75 144.32 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.56 106.68 17.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 83' ' ' ASN . 14.8 m -112.92 -139.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' N ' ' CG2' ' A' ' 82' ' ' VAL . 1.6 t30 -179.12 93.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.29 118.44 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -150.18 89.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.3 p -168.27 128.38 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.59 156.34 7.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.73 43.08 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -150.43 113.95 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.13 151.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.7 132.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 m -131.72 -58.48 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.36 134.99 12.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -166.03 81.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -121.8 105.06 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.93 -61.4 0.55 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.52 154.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -147.37 56.73 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 p -85.91 150.16 24.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.06 165.23 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 -91.13 110.86 22.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.23 145.47 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 19.9 t -96.9 135.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 40' ' ' ILE . 8.1 mm -124.96 95.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -85.37 125.0 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.3 p90 -144.48 168.61 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER 72.26 6.96 5.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' C ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER 58.91 44.71 16.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.457 ' CG2' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER 170.29 -48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 36.7 mt-30 -79.93 159.14 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.78 150.26 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 t -133.72 144.54 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.439 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 31.1 mm -103.34 139.09 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' N ' HG22 ' A' ' 24' ' ' ILE . 21.7 m -141.52 152.3 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.04 111.24 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.86 179.35 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.14 31.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.1 19.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.21 -63.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.598 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.65 150.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.53 149.84 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 31.9 mt -48.05 -27.09 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.56 -34.32 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.05 -20.12 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 mt -94.61 0.24 55.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.548 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -57.02 -50.04 90.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.538 1.81 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mt -57.47 -27.34 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 15' ' ' ILE . 48.4 mt -88.66 -61.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -50.29 -49.48 53.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 20.6 t -53.86 -43.7 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -58.05 -39.66 78.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.88 18.6 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 42.94 42.0 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.3 m-30 -97.68 176.03 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.79 115.34 59.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.36 11.11 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.81 -49.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.627 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -120.96 135.18 55.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mt -116.39 158.71 23.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 80.1 mt -122.13 102.61 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -99.32 166.8 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' HD23 ' A' ' 63' ' ' LEU . 1.5 mmmm -54.24 -53.32 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -161.08 177.91 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -58.24 -39.92 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -65.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 m -54.18 168.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -138.53 21.78 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.96 128.48 43.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 138.01 22.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD23 ' CD ' ' A' ' 55' ' ' LYS . 1.4 mt -88.97 167.21 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.24 103.55 15.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.511 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 17.0 mt -49.21 -45.42 44.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.6 p -43.06 -43.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -71.85 164.21 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -114.3 169.32 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.71 -31.01 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -73.21 -53.68 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.17 -47.4 78.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.3 -55.5 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.06 20.18 28.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.2 mt -104.25 143.83 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 18.7 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 2.9 pm0 -164.21 159.17 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -158.71 168.94 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -122.75 144.44 49.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.28 112.13 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.4 ttm -98.89 143.0 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.52 99.3 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 83' ' ' ASN . 15.7 m -102.06 -138.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.445 ' N ' ' CG2' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -135.58 -59.71 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -176.21 120.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -109.3 158.59 17.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.5 t -142.45 111.34 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.02 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.92 157.42 17.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 77.53 3.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -124.18 132.53 53.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.22 140.63 48.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.82 142.12 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -174.38 128.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.9 68.0 1.9 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -83.76 118.95 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -151.55 137.24 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.06 126.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.62 156.89 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -134.62 115.1 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -98.98 150.44 21.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.79 154.9 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 18.7 ptt180 -82.85 113.54 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -106.82 143.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 24' ' ' ILE . 79.1 t -89.91 104.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.97 103.21 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -89.97 123.66 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.0 p90 -144.74 171.86 13.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER 71.38 6.34 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' CG ' ' OH ' ' A' ' 78' ' ' TYR . 7.9 mttt 60.66 32.14 20.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -178.52 -47.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -76.69 161.74 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.96 152.46 35.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -140.67 147.56 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.445 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 14' ' ' VAL . 15.4 mm -100.96 140.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.0 m -142.27 153.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.6 109.04 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.38 172.96 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.07 129.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.89 16.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -86.43 -62.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.05 155.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.35 147.92 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 19.5 mt -50.56 -29.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -55.82 -34.95 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.5 -22.69 21.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 mt -94.84 9.83 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.534 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -67.79 -51.01 31.51 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.03 -43.71 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.1 mt -55.75 -26.0 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.4 mt -92.36 -62.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -48.6 -45.23 37.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.343 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 66.6 m -54.27 -43.92 71.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.949 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -57.66 -39.19 76.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -98.11 17.05 19.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 44.94 48.61 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 8.2 m-30 -103.4 -175.47 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.95 108.49 48.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.81 10.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.74 -36.51 73.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -139.38 58.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.584 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -120.97 141.71 50.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mt -113.56 158.34 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 80.7 mt -121.72 98.89 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -95.23 164.68 12.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.471 ' CD ' HD22 ' A' ' 63' ' ' LEU . 1.5 mmmm -56.17 -62.87 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -147.22 179.66 7.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.36 -49.63 69.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -68.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 149.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -121.74 20.41 10.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.01 118.58 70.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 132.25 15.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.471 HD22 ' CD ' ' A' ' 55' ' ' LYS . 1.4 mt -80.0 159.62 26.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.19 113.02 25.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.407 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 11.2 mt -57.66 -44.2 85.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -20.49 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -93.91 165.84 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.1 171.25 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.64 -32.35 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -69.74 -57.49 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.01 -57.44 10.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.73 -57.21 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.76 28.38 9.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 68.1 mt -108.69 147.94 31.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.61 -6.49 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -146.01 150.47 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.74 170.36 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.438 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 73.7 t80 -120.51 146.71 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.61 111.47 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.455 ' CB ' HD22 ' A' ' 54' ' ' LEU . 2.3 tpp -95.68 138.98 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.03 99.93 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 m -87.02 -34.53 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.0 t30 45.8 88.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 70.81 125.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.96 78.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.17 91.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.95 168.11 52.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.72 8.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 91' ' ' GLY . 3.1 m -144.79 -54.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m 69.45 -64.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' SER . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -68.74 115.88 8.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m -123.95 -58.4 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.99 122.6 7.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -71.39 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.96 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t 60.15 102.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.87 -177.79 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -113.07 -59.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt 46.51 56.07 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p -114.33 150.38 34.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.7 m -107.87 165.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -91.26 123.86 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -124.63 137.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG23 ' CD1' ' A' ' 24' ' ' ILE . 58.2 t -92.91 121.42 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 HD13 ' CG2' ' A' ' 40' ' ' ILE . 23.6 mm -103.78 94.1 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -85.54 125.76 33.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -143.66 156.56 44.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.54 9.34 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' CG2' ' A' ' 20' ' ' THR . 12.5 mtmm 46.02 34.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 16.0 p -156.49 -45.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.63 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 152.46 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -131.99 159.61 38.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.397 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' A' ' 14' ' ' VAL . 19.6 mm -113.21 140.37 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -142.37 154.37 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.18 111.01 22.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.98 170.66 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.77 135.69 48.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.94 -22.49 14.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -66.79 -61.44 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.638 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.74 145.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p -82.08 148.36 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 46.9 mt -47.93 -31.34 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -56.27 -34.16 66.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -91.72 -22.43 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.8 10.27 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.555 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -72.02 -49.76 9.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.0 Cg_endo -75.08 -42.83 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.18 -28.65 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.414 ' CG2' HD13 ' A' ' 15' ' ' ILE . 49.8 mt -88.79 -55.09 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.17 -49.19 67.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 108.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -56.27 -40.77 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -58.79 -40.95 85.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.3 17.44 18.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 43.23 44.95 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -96.31 -175.72 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' O ' ' OG1' ' A' ' 51' ' ' THR . 2.7 m-20 -114.29 110.51 47.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.72 10.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.56 -43.23 81.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.02 59.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 47' ' ' ASP . 1.8 m -121.17 135.01 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mt -111.67 166.13 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 76.9 mt -125.8 98.4 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 1.6 mm? -90.57 164.89 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.462 ' CD ' HD21 ' A' ' 63' ' ' LEU . 1.4 mmmm -53.1 -56.24 17.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -164.57 -176.44 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.3 -45.29 84.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.99 167.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -137.98 16.35 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.3 135.64 41.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 140.52 25.65 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 HD21 ' CD ' ' A' ' 55' ' ' LYS . 3.5 mt -91.24 162.48 14.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.58 104.8 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' CD2' HD12 ' A' ' 53' ' ' LEU . 71.5 mt -43.53 -53.58 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -40.88 -39.67 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.08 138.72 39.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 p -101.36 173.22 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.0 -29.87 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -73.59 -54.71 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.9 -49.72 76.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.4 -51.68 61.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.44 18.64 56.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.4 mt -109.24 145.96 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -110.3 -10.76 14.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -122.47 151.53 41.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.76 170.37 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -133.35 144.76 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.25 112.96 26.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 ttm -97.19 141.75 29.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.79 117.02 29.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.406 HG21 ' N ' ' A' ' 83' ' ' ASN . 18.1 m -119.51 -145.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.406 ' N ' HG21 ' A' ' 82' ' ' VAL . 7.4 t-20 -162.2 104.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.06 113.92 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -88.16 -60.75 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.45 157.79 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.026 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.68 -168.58 25.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 150.24 38.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.97 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -108.29 39.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 41.48 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m 59.87 167.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.21 92.79 0.2 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -101.66 -58.99 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.53 -56.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.97 -169.09 13.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -175.98 -60.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt 59.04 110.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -109.18 152.56 24.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.6 m -112.97 159.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -87.6 121.1 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -121.1 145.18 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 38.2 t -95.29 130.51 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.426 ' HB ' ' CG2' ' A' ' 23' ' ' THR . 13.0 mm -116.32 94.11 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.596 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 19.4 p90 -144.47 167.85 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' CG2' ' A' ' 20' ' ' THR . 1.0 OUTLIER 71.96 7.2 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HE2' ' CE2' ' A' ' 57' ' ' TYR . 0.5 OUTLIER 59.47 41.14 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER 173.46 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.59 155.67 31.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 150.12 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.426 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 14.3 t -136.44 142.23 43.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CD1' HG21 ' A' ' 14' ' ' VAL . 31.0 mm -100.46 146.19 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.43 154.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.16 108.64 19.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.54 -175.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.44 132.11 25.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.05 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -78.46 -59.13 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.95 149.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -83.58 154.93 23.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 51.6 mt -52.77 -34.79 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -53.18 -35.3 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.21 -23.32 21.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.5 mt -95.87 10.38 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.557 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -71.55 -49.67 11.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.03 -42.63 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.61 -28.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.8 mt -88.45 -60.4 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -50.62 -48.75 57.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 65.3 m -53.49 -44.9 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.51 -40.73 75.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.39 20.66 13.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 39.74 47.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.21 173.4 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -105.48 111.55 64.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.31 -49.87 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -129.21 60.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 m -121.06 137.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mt -111.85 159.24 18.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 82.1 mt -120.79 101.59 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -102.72 161.55 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' CG ' HD22 ' A' ' 63' ' ' LEU . 24.6 mtpt -55.04 -62.03 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.19 169.71 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.366 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.465 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 1.9 t80 -52.5 -36.25 54.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.24 158.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -128.6 13.28 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . 4.1 mt-10 -78.91 122.26 84.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.19 22.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD22 ' CG ' ' A' ' 55' ' ' LYS . 9.1 mt -89.39 151.87 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -90.53 109.41 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 p -39.16 -33.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ASP . 3.3 mmpt? -84.01 138.8 32.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -99.46 -177.43 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 1.7 mm? -61.43 -32.02 71.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.1 -48.87 40.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.19 -45.39 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.43 -70.87 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.6 9.62 11.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -104.32 151.31 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -110.77 -10.46 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -129.72 151.66 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.85 167.58 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.407 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 75.9 t80 -125.25 146.79 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.65 111.25 23.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 ttm -103.05 136.87 42.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -92.75 111.06 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.8 m -101.37 79.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -106.97 89.49 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -53.0 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.71 173.74 10.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -125.75 -61.62 1.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.48 156.13 9.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 58.9 5.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.808 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.67 89.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.9 p -137.46 119.34 15.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.093 . . . . 0.0 111.042 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.19 170.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.79 161.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.39 -140.76 13.67 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 119.42 34.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -95.95 146.6 24.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.69 149.8 15.42 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -154.98 -66.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -136.39 55.35 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -129.88 152.14 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.58 156.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ptt-85 -84.55 124.11 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -119.77 143.3 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 24' ' ' ILE . 37.7 t -89.97 112.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.453 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.0 mm -95.28 99.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -90.26 124.65 35.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 28.5 p90 -144.51 157.33 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 64.94 12.87 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' O ' ' CG2' ' A' ' 20' ' ' THR . 33.4 mtmt 44.77 31.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 16.1 p -154.79 -50.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 68.1 mt-30 -94.3 154.53 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.17 149.97 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -137.13 158.42 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 14' ' ' VAL . 21.9 mm -109.19 138.38 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG1' ' HG2' ' A' ' 43' ' ' LYS . 22.5 m -138.37 152.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 114.7 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.25 176.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.53 128.49 61.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -85.16 -63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.614 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.41 156.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.68 148.92 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 52.4 mt -50.09 -30.42 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.86 -34.64 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -92.18 -21.98 20.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.3 mt -96.44 10.37 38.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -75.57 -50.1 3.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -44.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.453 ' O ' ' CE ' ' A' ' 43' ' ' LYS . 3.2 mt -56.59 -24.62 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' CG2' HD12 ' A' ' 15' ' ' ILE . 57.4 mt -93.48 -53.3 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.22 -39.51 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -44.02 80.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -58.79 -40.77 84.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.501 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -94.69 15.21 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 108.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 42.35 39.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.1 m-30 -89.83 -172.45 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -121.11 112.97 32.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -64.19 -49.79 70.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -130.27 59.88 1.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.627 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -121.15 139.59 53.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -111.07 169.31 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 83.4 mt -129.68 96.89 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 1.3 mm? -93.63 158.93 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' CD ' ' CD2' ' A' ' 63' ' ' LEU . 5.5 mmmt -51.28 -57.19 9.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -158.38 -161.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -84.66 -37.43 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.63 -25.67 63.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -99.55 168.61 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -136.04 10.19 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.08 130.38 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.39 42.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.43 ' CD2' ' CD ' ' A' ' 55' ' ' LYS . 6.3 mt -107.95 167.05 10.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.34 105.67 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.482 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 12.4 mt -46.87 -50.88 17.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.2 p -40.08 -38.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 150.31 34.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -103.75 168.13 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 33' ' ' LEU . 2.5 mm? -54.4 -30.37 51.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -73.46 -56.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -53.44 -40.01 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.9 mt -76.62 -61.56 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 97.39 39.46 3.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.8 141.78 47.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -3.49 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.446 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 3.5 pm0 -150.34 150.31 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.13 170.46 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -124.35 143.21 50.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.73 111.02 23.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.45 ' CB ' HD22 ' A' ' 54' ' ' LEU . 5.1 ttp -99.97 152.18 20.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -113.14 116.21 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.65 -22.55 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 42.4 77.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.64 97.83 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.16 103.87 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.4 t -127.49 171.52 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.43 156.35 9.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.4 p 174.09 149.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t 45.45 91.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.98 142.02 31.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -109.33 82.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.67 123.41 1.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 m -99.62 135.83 40.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.966 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -93.48 145.83 24.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.21 -100.97 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.47 160.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -160.39 118.85 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -140.66 149.81 42.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 29.4 m -109.64 153.6 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 20.6 ptt180 -82.04 119.62 24.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.22 143.94 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 24' ' ' ILE . 65.3 t -91.96 109.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -93.08 96.54 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -86.72 124.41 32.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 50.5 p90 -144.6 158.85 43.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mttm 67.41 10.3 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 20' ' ' THR . 6.0 mtmt 49.97 29.87 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 13.6 p -157.95 -53.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 66.4 mt-30 -86.89 157.19 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.72 150.37 30.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -137.38 143.46 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.473 HD13 ' CG2' ' A' ' 14' ' ' VAL . 15.0 mm -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -137.67 152.59 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.8 106.75 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 39' ' ' ILE . 4.6 m -133.97 171.53 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.35 133.0 51.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.98 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.68 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.36 147.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.09 150.77 30.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.9 mt -51.23 -32.85 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.61 -34.4 50.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -92.7 -23.05 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.3 mt -95.46 10.55 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.544 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -70.0 -50.42 16.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.473 HG22 ' CG1' ' A' ' 27' ' ' VAL . 3.0 mt -54.92 -30.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.4 mt -88.83 -55.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -49.99 -45.74 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 108.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 t -52.84 -49.74 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -40.13 66.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -97.04 20.13 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 108.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 38.58 35.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -88.46 174.67 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.87 112.44 63.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.0 -49.51 67.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.56 59.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -121.2 137.02 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.447 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mt -111.8 163.82 13.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 82.8 mt -123.29 98.17 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.474 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 1.1 mm? -97.12 166.88 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' CD ' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -58.13 -65.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.34 -177.83 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.93 -17.24 22.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.73 86.32 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 8.4 m -168.76 -48.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 64.74 16.18 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.47 119.12 52.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.25 33.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.477 HD22 ' CD ' ' A' ' 55' ' ' LYS . 4.1 mt -92.57 175.1 6.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.9 100.21 9.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 32.0 mt -47.69 -48.88 29.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.1 p -46.07 -33.48 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.9 172.93 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -125.13 165.38 18.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -52.3 -30.53 28.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.07 -52.49 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.04 -51.94 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.177 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.6 mt -65.85 -47.57 74.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.73 11.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.16 151.21 33.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.406 ' NH1' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -108.82 -17.72 13.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 24.6 pm0 -136.69 158.41 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -153.93 169.55 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -121.69 143.18 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.21 111.15 23.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.452 ' CB ' HD21 ' A' ' 54' ' ' LEU . 1.8 ttp -94.75 141.17 28.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.23 107.91 20.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 83' ' ' ASN . 14.1 m -111.16 -139.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.445 ' N ' ' CG2' ' A' ' 82' ' ' VAL . 30.8 m-20 -150.03 -56.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 59.87 109.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.42 -81.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -129.34 -62.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.15 -173.32 16.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 123.95 8.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.1 m -109.49 -60.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -154.46 80.74 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -127.49 120.56 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -112.88 121.61 45.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.37 131.03 4.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.71 -59.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.985 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.14 172.0 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.39 122.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.118 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.11 99.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.68 109.34 12.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 p -92.57 147.55 22.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.2 m -107.37 164.5 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.65 110.11 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.0 t -114.0 137.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' HB ' ' CG ' ' A' ' 76' ' ' GLU . 69.1 t -91.4 146.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 40' ' ' ILE . 13.8 mm -128.47 94.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 40.9 m-80 -83.36 118.65 23.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 23.8 p90 -144.5 168.86 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.6 OUTLIER 72.0 6.32 5.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' C ' ' CG2' ' A' ' 20' ' ' THR . 2.2 mtmt 57.3 43.73 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.32 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -80.68 150.06 29.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.24 154.73 36.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t -152.8 151.38 30.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -105.95 145.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 155.02 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -103.65 110.14 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.62 176.7 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.45 132.22 43.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.02 -25.09 12.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -62.99 -54.31 40.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.61 148.16 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.17 152.67 22.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 39.3 mt -51.31 -28.12 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -58.57 -37.74 76.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -89.04 -23.23 22.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -95.42 10.23 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.545 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -67.66 -50.37 35.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -56.3 -28.18 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.473 HG23 ' CD1' ' A' ' 15' ' ' ILE . 51.5 mt -89.34 -62.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -48.34 -46.32 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 59.3 m -57.29 -45.95 83.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.31 -26.78 65.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -110.57 18.48 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.75 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -100.3 -177.38 3.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.71 112.79 47.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.97 -49.71 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 59.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -120.98 133.85 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.48 159.68 16.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 78.7 mt -122.95 103.74 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -98.54 158.35 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HG2' ' CD2' ' A' ' 63' ' ' LEU . 6.7 mtpt -55.56 -47.8 75.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.94 168.19 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.25 -40.9 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -68.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.7 m -52.97 165.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -135.55 17.14 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -91.88 134.6 28.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.16 31.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' CD2' ' HG2' ' A' ' 55' ' ' LYS . 37.5 mt -91.94 148.1 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.47 108.96 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.4 mt -54.56 -52.15 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -28.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.84 143.74 27.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 168.94 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 1.7 mm? -57.76 -33.76 68.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.82 -43.99 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -65.45 -50.1 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.32 -54.17 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.01 28.75 22.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 63' ' ' LEU . 53.2 mt -115.78 116.93 28.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.22 9.52 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -145.73 154.52 42.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.45 170.34 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 63.0 t80 -131.74 148.26 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.82 111.28 23.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.8 ttm -105.9 131.5 53.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -99.26 97.61 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.6 m -78.7 -34.97 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.4 t30 40.52 71.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.35 79.21 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.04 -70.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 t -168.15 172.88 8.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.87 113.95 2.3 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 141.87 27.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.38 165.59 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.77 116.86 7.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -159.81 132.07 6.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.946 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.85 160.54 14.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.13 162.44 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.72 159.51 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -163.22 134.76 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.7 134.78 8.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.96 -48.65 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 49.74 58.75 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -93.02 152.12 19.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -112.91 165.96 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -88.42 112.64 23.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.42 139.52 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 24' ' ' ILE . 59.5 t -95.73 123.58 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 40' ' ' ILE . 22.1 mm -106.19 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -85.31 124.42 31.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 32.8 p90 -143.06 158.53 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 67.73 11.11 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 78' ' ' TYR . 13.3 mtpt 44.52 30.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -153.63 -47.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -99.66 160.26 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.86 156.75 42.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.409 ' CG2' ' SG ' ' A' ' 44' ' ' CYS . 14.8 t -144.26 141.84 30.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.45 HD11 ' CG2' ' A' ' 14' ' ' VAL . 4.2 mm -98.69 144.25 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.41 153.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -105.48 107.36 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -128.27 171.19 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.51 134.57 33.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -10.14 21.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -79.17 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.24 150.6 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.95 150.98 23.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.5 mt -47.35 -33.2 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.72 -35.46 63.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -22.13 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.1 mt -95.66 10.28 37.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -71.45 -50.04 11.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -75.03 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.454 HG21 ' CG1' ' A' ' 27' ' ' VAL . 3.0 mt -55.09 -32.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 15' ' ' ILE . 60.4 mt -84.48 -65.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.3 m -45.05 -45.78 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 70.2 m -58.99 -39.49 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ILE . 20.0 mmtt -64.09 -24.38 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.409 ' SG ' ' CG2' ' A' ' 23' ' ' THR . 0.8 OUTLIER -116.98 20.49 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' CYS . 38.6 mt-10 38.79 41.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.2 m-30 -92.06 165.63 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -97.41 110.43 54.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.36 -15.88 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 50' ' ' HIS . 0.3 OUTLIER -155.46 53.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -120.07 136.16 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 mt -115.78 167.46 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 76.9 mt -129.56 107.97 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.14 170.9 7.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 59' ' ' SER . 6.9 mmmt -55.1 -55.75 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.31 -178.41 7.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.409 ' CD1' ' HG2' ' A' ' 19' ' ' LYS . 5.8 t80 -61.13 -23.59 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.97 53.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -150.99 166.08 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -134.62 13.27 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.09 115.67 65.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 128.54 11.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -78.39 159.55 28.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.62 121.7 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.56 -50.36 72.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.6 p -44.04 -33.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.21 151.1 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -100.92 171.74 7.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 73' ' ' GLY . 2.3 mm? -58.01 -28.76 64.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -72.55 -55.06 7.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -53.78 -40.64 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 33' ' ' LEU . 36.5 mt -76.96 -66.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 99.54 35.97 4.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.5 mt -125.17 122.49 37.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.91 -6.43 55.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -125.97 151.3 47.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.7 170.35 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CZ ' ' HG3' ' A' ' 19' ' ' LYS . 73.8 t80 -131.03 145.08 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.23 111.65 24.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.7 ttm -101.49 141.22 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.402 ' HB3' ' CE1' ' A' ' 50' ' ' HIS . 95.6 m-20 -100.55 114.32 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 m -97.0 82.68 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -48.79 -48.74 40.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -142.19 105.86 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.99 138.59 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.8 m -68.03 100.33 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.953 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.68 158.46 31.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.39 3.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.8 p -138.9 97.25 3.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.75 84.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -72.88 99.44 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.44 136.55 26.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.1 -155.17 7.44 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -176.93 159.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.975 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t 63.53 138.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.14 158.19 16.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -98.06 142.32 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 110.356 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 9.8 mtmt -154.67 56.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -120.73 151.34 39.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -112.03 150.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.5 ptt180 -79.06 113.84 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -108.55 146.96 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 24' ' ' ILE . 56.1 t -93.3 124.81 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 40' ' ' ILE . 18.2 mm -113.25 94.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -85.42 124.48 32.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 40.1 p90 -144.52 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' O ' ' CG2' ' A' ' 20' ' ' THR . 3.0 mmtt 67.77 9.24 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' C ' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER 58.01 46.07 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.475 ' CG2' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER 167.88 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -75.05 150.07 39.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 153.3 41.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.442 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.3 t -144.2 150.47 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.473 HD13 ' CG2' ' A' ' 14' ' ' VAL . 30.8 mm -107.2 142.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 m -144.32 152.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.61 107.93 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 39' ' ' ILE . 1.3 m -134.99 164.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.32 133.44 64.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.59 -64.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.15 153.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.7 153.19 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' ' 77' ' ' LEU . 9.7 mt -50.18 -28.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -58.43 -34.73 71.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 3.3 mm-40 -94.31 -20.7 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.7 mt -96.96 10.27 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.558 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -71.23 -49.72 12.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -74.94 -41.0 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 HG23 ' CG1' ' A' ' 27' ' ' VAL . 3.2 mt -59.59 -28.23 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 15' ' ' ILE . 49.7 mt -87.9 -57.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.54 -49.45 67.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.3 t -56.57 -40.48 75.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 19.1 mmtt -58.27 -38.13 76.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.03 18.17 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.256 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 44.39 45.73 7.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -98.58 178.35 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 0.2 OUTLIER -106.2 105.79 55.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -1.1 10.78 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.6 mp -69.71 -34.96 74.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.423 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -140.02 58.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.562 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.2 m -120.99 137.61 54.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.21 160.03 18.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 82.9 mt -119.97 97.61 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.51 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -96.5 162.51 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' CD ' HD23 ' A' ' 63' ' ' LEU . 1.9 mmmm -52.64 -58.73 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -155.74 177.42 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.14 -48.04 74.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -62.68 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -56.42 161.34 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -130.67 11.73 5.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.53 123.92 82.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 144.86 30.54 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD23 ' CD ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -95.16 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 118.55 31.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 13.4 mt -64.37 -35.37 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -14.16 20.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -103.51 147.66 26.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 p -98.68 179.64 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -65.67 -30.1 70.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.75 -49.19 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -59.36 -48.71 80.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 33' ' ' LEU . 25.0 mt -66.23 -52.26 49.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.21 28.78 10.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.25 158.07 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.71 6.33 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -152.01 164.93 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -160.66 170.48 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 89.4 t80 -122.04 142.45 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.98 111.39 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.7 ttm -96.04 141.22 29.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.27 111.74 23.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.99 67.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -93.87 -61.15 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.4 -60.59 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.0 148.64 52.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -105.02 -58.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.32 -175.26 16.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 139.3 24.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.5 t -173.24 99.35 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 t -44.46 123.05 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -109.72 153.48 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -139.17 164.44 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.48 158.44 0.64 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.84 -59.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.747 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.54 90.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.27 -91.17 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -169.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mttp 52.89 58.02 5.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 p -101.88 147.08 26.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -105.96 154.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 14.4 ptt180 -85.12 114.06 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.79 141.26 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 30.7 t -93.28 106.92 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 40' ' ' ILE . 25.9 mm -94.96 100.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -91.51 129.29 37.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 33.2 p90 -144.38 155.02 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 69.98 7.87 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HE2' ' CE2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER 52.29 29.88 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 36.0 p -155.9 -49.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 72.3 mt-30 -94.13 154.68 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 153.76 36.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -138.06 146.4 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 14' ' ' VAL . 28.0 mm -100.98 144.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -143.3 153.35 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -112.66 110.88 21.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.409 HG12 ' CG2' ' A' ' 39' ' ' ILE . 3.1 m -139.66 172.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 130.33 73.24 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.89 21.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -72.19 -63.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.77 143.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -77.97 149.99 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 26.0 mt -49.53 -29.81 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -55.27 -34.97 64.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -91.76 -22.05 20.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.75 7.51 46.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.562 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -67.77 -49.37 38.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -74.98 -43.93 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.409 ' CG2' HG12 ' A' ' 27' ' ' VAL . 2.9 mt -55.02 -35.67 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CG2' HD12 ' A' ' 15' ' ' ILE . 43.8 mt -80.69 -62.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -46.36 -48.94 18.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 43.5 t -51.75 -54.06 32.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -52.95 -34.93 57.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -100.18 20.36 14.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.338 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' CYS . 5.8 mt-10 38.09 35.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -93.84 163.11 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' OG1' ' A' ' 51' ' ' THR . 0.7 OUTLIER -98.06 112.83 62.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -46.91 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.03 58.57 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.554 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 47' ' ' ASP . 3.8 m -113.23 146.77 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.04 160.62 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 94.3 mt -122.18 104.77 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -98.83 164.85 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' CD ' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -52.48 -64.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.3 -173.3 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 3.4 t80 -59.96 -40.11 87.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -73.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -55.75 166.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -135.54 14.23 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 134.13 61.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.59 23.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 3.6 mt -91.04 158.38 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.08 123.87 36.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 67' ' ' LYS . 15.5 mt -58.46 -57.81 11.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -39.6 -31.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -84.22 142.57 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -110.38 170.8 7.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.5 mm? -49.73 -29.59 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -73.45 -51.27 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -52.0 66.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.61 -52.69 56.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.91 22.44 30.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.6 mt -106.31 159.52 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -123.89 11.07 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -154.23 152.87 30.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.69 169.78 23.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -125.38 147.72 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.95 111.32 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.44 ' SD ' ' CG1' ' A' ' 82' ' ' VAL . 28.6 ttm -100.4 133.36 44.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -92.55 105.29 17.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 83' ' ' ASN . 14.2 m -112.17 -139.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.459 ' N ' ' CG2' ' A' ' 82' ' ' VAL . 4.3 p-10 -151.15 117.27 5.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.85 93.7 4.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 67.1 -80.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.14 159.56 41.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.5 -145.91 10.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 90.74 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.8 t -150.2 -57.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 p -158.72 -58.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -153.68 98.74 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -45.46 -27.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.59 122.8 5.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -154.2 167.97 28.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.89 92.85 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.21 -128.6 3.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 59.84 154.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.2 110.64 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p -86.84 152.73 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.59 155.67 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 13.9 ptp180 -85.06 115.64 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -107.4 144.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.469 ' CG2' HD13 ' A' ' 24' ' ' ILE . 71.7 t -94.12 116.48 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' ' 40' ' ' ILE . 21.4 mm -104.39 99.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.54 123.18 32.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 21.4 p90 -144.44 170.66 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' CG2' ' A' ' 20' ' ' THR . 7.3 mttt 71.32 6.94 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 mttt 58.93 39.47 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 175.04 -46.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.372 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 16.6 mt-30 -78.68 154.49 30.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.85 149.8 31.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.9 t -136.35 163.13 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.469 HD13 ' CG2' ' A' ' 14' ' ' VAL . 28.7 mm -115.84 145.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.7 m -146.48 153.21 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -111.91 109.9 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.459 ' CG1' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -135.52 -177.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.64 126.58 59.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -87.19 -48.81 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.19 153.26 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 146.68 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 50.7 mt -47.41 -36.17 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.78 -35.65 32.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.77 -22.93 21.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.44 10.35 36.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.546 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -70.06 -50.23 16.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.459 HG22 ' CG1' ' A' ' 27' ' ' VAL . 3.1 mt -56.26 -31.56 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.446 HG21 ' CD1' ' A' ' 15' ' ' ILE . 44.6 mt -85.49 -60.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -52.13 30.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 67.0 m -51.95 -48.78 64.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -51.55 -39.41 57.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.51 22.99 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 38.9 46.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.0 169.91 8.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.416 ' O ' ' OG1' ' A' ' 51' ' ' THR . 0.5 OUTLIER -106.79 114.34 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.19 9.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.02 -49.74 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 60.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 47' ' ' ASP . 18.1 m -121.08 148.64 43.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 mt -124.1 168.26 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 95.3 mt -129.64 100.69 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -103.75 164.39 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' CG ' HD23 ' A' ' 63' ' ' LEU . 14.6 mtpt -59.38 -50.77 72.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -155.06 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.87 -35.99 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -70.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -40.45 152.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -123.57 25.33 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.57 118.47 63.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.95 22.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.408 HD23 ' CG ' ' A' ' 55' ' ' LYS . 3.1 mt -80.78 158.24 25.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 109.38 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -56.27 -37.62 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -13.31 22.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -99.46 178.9 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 p -130.44 162.8 28.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.01 -31.21 12.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.37 -55.64 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.28 -42.61 66.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.9 -67.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.75 16.47 9.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.3 mt -103.83 146.25 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.77 -9.35 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -136.37 153.53 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.65 168.23 22.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.84 144.91 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.57 111.35 24.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.415 ' CB ' HD22 ' A' ' 54' ' ' LEU . 33.6 ttm -98.16 141.99 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.36 110.99 23.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.6 m -102.59 72.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.06 79.17 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.72 90.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 62.16 117.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.5 t -133.83 108.88 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.23 156.73 24.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 171.18 18.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.53 80.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 m -155.9 152.93 28.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.36 -58.4 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -89.58 147.63 23.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.36 63.9 3.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.64 108.73 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -122.84 100.29 6.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.54 126.73 3.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.33 95.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -119.1 58.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 p -118.38 150.83 38.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 m -109.02 153.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -81.12 117.97 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -110.44 140.9 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 24' ' ' ILE . 16.2 t -94.78 112.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -97.77 108.92 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -95.69 125.02 39.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 35.2 p90 -144.45 155.32 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mttt 69.29 8.29 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 20' ' ' THR . 17.0 mttp 51.02 29.49 4.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 37.3 p -156.71 -52.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 60.0 mt-30 -89.42 159.53 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.49 153.26 34.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 t -137.79 138.88 39.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 14' ' ' VAL . 27.5 mm -95.79 147.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.7 m -150.05 153.43 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.88 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.49 -178.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.54 130.88 47.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.53 20.78 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.25 -64.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.65 148.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.55 149.75 27.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 6.5 mt -49.93 -32.88 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.15 -34.76 58.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.67 -23.24 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.9 mt -96.07 10.3 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.555 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -68.81 -49.83 25.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.02 -41.03 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.767 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.441 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 3.2 mt -58.73 -30.11 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.5 mt -86.39 -58.88 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -50.1 61.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -55.09 -39.75 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 26.3 mmtt -62.11 -35.94 80.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.528 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.14 12.7 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 50.92 39.37 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -98.09 179.6 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.02 117.6 43.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.75 -49.79 73.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.73 60.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.634 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 52' ' ' LEU . 2.4 m -120.79 145.64 47.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' N ' HG21 ' A' ' 51' ' ' THR . 6.3 mt -128.01 160.01 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 83.7 mt -120.91 101.1 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 80' ' ' MET . 1.7 mm? -92.15 156.94 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' CD ' HD23 ' A' ' 63' ' ' LEU . 3.4 mmmt -48.37 -67.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -145.85 167.87 22.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.64 -47.34 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.47 -63.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 56' ' ' ASP . 36.7 t -55.12 135.16 49.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.9 -6.44 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 126.94 92.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.5 24.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.803 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.447 HD23 ' CD ' ' A' ' 55' ' ' LYS . 7.5 mt -108.6 178.59 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.25 108.96 18.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.27 -24.63 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 p -73.27 -10.0 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 mmpp? -103.48 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -125.03 166.13 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.27 -28.5 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.78 -46.05 47.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.7 -39.78 91.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 mt -75.11 -52.21 11.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.97 25.52 26.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 mt -112.47 146.44 38.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -112.54 9.74 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -153.61 154.4 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.3 167.02 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -116.2 146.67 42.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.93 111.02 23.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.456 ' CB ' HD21 ' A' ' 54' ' ' LEU . 1.7 ttp -97.91 146.22 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.31 108.87 20.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 83' ' ' ASN . 14.4 m -111.61 -139.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.459 ' N ' ' CG2' ' A' ' 82' ' ' VAL . 7.7 t30 -175.55 96.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -167.1 -67.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -171.47 178.04 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.1 m -86.42 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.91 153.5 24.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.71 3.17 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.59 104.52 15.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.9 p -117.84 88.27 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.09 101.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -161.58 132.47 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.92 93.08 0.12 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -150.83 101.21 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -69.1 155.38 40.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.025 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.2 92.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -79.33 73.74 5.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -111.65 60.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -119.51 156.8 29.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -122.14 154.51 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.4 ptp180 -81.24 115.22 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -108.72 142.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 24' ' ' ILE . 48.1 t -91.04 110.62 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 HD11 ' CG2' ' A' ' 40' ' ' ILE . 12.5 mm -100.22 97.95 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -87.88 123.55 32.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.599 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 23.4 p90 -144.56 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.1 OUTLIER 71.55 7.05 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' CG ' ' OH ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER 58.22 42.59 21.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.63 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -80.44 157.31 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.75 150.69 32.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -138.8 148.44 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 14' ' ' VAL . 25.6 mm -102.56 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 m -143.24 154.08 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 107.09 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 m -138.04 168.58 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.82 123.4 89.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -75.05 -56.47 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.578 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.55 146.45 27.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' CD2' HD21 ' A' ' 77' ' ' LEU . 12.7 mt -46.78 -32.54 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -53.81 -33.87 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -92.9 -22.94 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.0 mt -95.75 10.09 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -69.53 -50.66 18.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.421 1.748 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.1 mt -55.66 -26.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' CG2' HD11 ' A' ' 15' ' ' ILE . 60.0 mt -92.71 -62.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.3 m -47.65 -45.24 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 47.6 t -52.75 -41.03 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -58.12 -44.69 87.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -96.34 16.76 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.0 mt-10 45.83 46.35 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 7.2 m-30 -99.52 170.59 8.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' THR . 22.3 p-10 -98.75 109.77 54.67 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.93 10.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 mt -85.3 -37.49 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.98 42.68 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.2 m -121.02 140.92 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mt -113.39 168.01 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 88.2 mt -124.64 102.94 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -100.28 158.3 15.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CD ' HD23 ' A' ' 63' ' ' LEU . 2.6 mmmm -51.75 -59.2 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.45 -173.91 4.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.457 ' CD2' ' HG3' ' A' ' 58' ' ' GLN . 9.4 t80 -63.05 -24.77 68.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.457 ' HG3' ' CD2' ' A' ' 57' ' ' TYR . 4.4 mt-30 -128.53 83.23 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -155.08 -47.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 64.24 24.5 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.38 115.9 44.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.59 23.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 HD23 ' CD ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -89.33 -174.59 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.42 105.32 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 15.4 mt -51.09 -48.33 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 64.4 p -44.61 -39.39 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.45 165.32 25.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.48 165.17 13.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.85 -35.69 61.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.3 -48.24 57.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.39 -54.35 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.03 -54.02 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.71 25.59 13.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.11 150.96 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.87 17.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 4.8 pm0 -162.15 156.45 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -161.67 170.56 19.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.433 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 44.3 t80 -124.79 151.28 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.49 114.7 26.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.401 ' CB ' HD22 ' A' ' 54' ' ' LEU . 32.6 ttm -103.48 142.0 35.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -97.32 112.88 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.428 HG21 ' N ' ' A' ' 83' ' ' ASN . 17.2 m -120.38 -140.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.428 ' N ' HG21 ' A' ' 82' ' ' VAL . 3.4 t-20 179.66 129.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -171.51 111.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.49 139.0 32.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.37 122.9 8.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 145.47 152.55 5.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.128 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -59.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.3 p -122.77 168.3 12.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m 62.49 135.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -98.18 119.83 37.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -42.62 148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.06 -172.75 27.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -65.15 -59.22 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.26 97.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.956 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.52 -146.99 3.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.74 145.07 27.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -160.42 109.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -96.37 149.57 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.3 m -110.17 151.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -83.29 109.48 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.0 t -104.08 145.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.485 ' CG2' ' CD1' ' A' ' 24' ' ' ILE . 66.0 t -99.18 123.39 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.1 mm -108.73 94.2 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.73 126.18 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 38.7 p90 -144.62 165.37 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER 69.8 8.53 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 mttt 60.51 37.74 19.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER 179.76 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -67.85 144.5 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -143.93 150.11 37.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 t -137.7 140.19 40.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.485 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 30.4 mm -97.64 141.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 m -144.54 153.84 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -109.25 114.67 28.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -137.37 -174.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.95 130.84 31.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.41 21.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -73.95 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.66 152.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.98 151.76 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 15.3 mt -51.37 -29.21 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -57.85 -34.36 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.37 -22.33 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.1 10.25 38.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.549 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -66.54 -49.95 49.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.05 -44.06 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.47 HG21 ' CG1' ' A' ' 27' ' ' VAL . 2.9 mt -53.8 -35.7 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.471 ' CG2' HD12 ' A' ' 15' ' ' ILE . 30.9 mt -82.09 -64.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.2 m -43.97 -44.69 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 34.9 t -51.15 -57.4 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -36.17 62.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -94.92 17.38 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.2 mt-10 38.44 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -87.52 167.73 13.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.86 112.53 63.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 0.4 OUTLIER -65.93 -49.83 66.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -129.19 60.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -121.06 143.23 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.19 172.39 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 81.9 mt -132.69 103.35 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.6 164.23 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CD ' HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.74 -161.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.17 -38.69 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -53.62 55.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 p -83.71 179.81 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -141.27 18.28 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.06 125.5 90.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.76 29.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.455 HD22 ' CD ' ' A' ' 55' ' ' LYS . 1.2 mt -95.01 168.82 10.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.08 107.41 19.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.511 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 15.1 mt -53.42 -40.5 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 p -51.09 -36.47 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -77.62 167.78 21.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -121.14 167.79 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.86 -30.19 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.0 -49.56 28.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.84 -42.92 94.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 mt -73.84 -58.8 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.68 28.37 10.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.7 mt -107.74 140.36 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -107.02 17.33 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 77' ' ' LEU . 2.7 tm-20 -163.86 150.05 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.427 ' CA ' ' OE2' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -153.77 170.4 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -123.68 140.35 53.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.67 114.37 28.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 ttm -100.17 143.35 30.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.49 108.05 20.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.3 m -109.99 70.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -110.69 93.77 4.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.21 -51.78 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.8 144.56 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -84.73 150.8 24.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.15 115.51 0.42 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.462 1.769 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 t 58.1 103.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.8 p -150.75 124.12 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.018 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.155 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t 61.84 91.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -112.02 -58.58 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.91 -67.53 2.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -67.0 146.17 54.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m 62.17 142.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.23 158.51 11.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.32 163.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -92.32 47.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p -87.05 154.53 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.463 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 35.0 m -117.17 161.38 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -84.85 111.09 19.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.2 t -105.98 142.63 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 ' CG2' HD11 ' A' ' 24' ' ' ILE . 70.8 t -100.35 103.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.428 HD13 ' CG2' ' A' ' 40' ' ' ILE . 24.1 mm -85.59 119.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -112.5 125.03 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.8 p90 -142.66 154.94 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 70.84 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 28.1 mtpt 53.26 31.95 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 34.9 p -156.66 -58.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -86.76 152.67 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 147.16 28.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 t -126.51 150.89 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.431 HD11 ' CG2' ' A' ' 14' ' ' VAL . 5.4 mm -105.82 139.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.454 HG11 ' CB ' ' A' ' 43' ' ' LYS . 25.3 m -145.44 153.69 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -108.99 107.53 17.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 39' ' ' ILE . 1.9 m -131.77 169.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.02 132.58 47.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.463 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.04 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -85.15 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.62 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.62 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.7 mt -49.75 -35.08 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -51.21 -34.86 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 3.7 mm-40 -90.68 -22.94 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.9 mt -95.95 10.46 37.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.555 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -74.11 -49.82 5.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -44.01 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.474 HG23 ' CG1' ' A' ' 27' ' ' VAL . 3.2 mt -56.6 -26.89 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 ' CG2' HD13 ' A' ' 15' ' ' ILE . 54.0 mt -90.15 -59.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -50.55 -49.02 57.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -53.77 -44.65 70.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CB ' HG11 ' A' ' 25' ' ' VAL . 21.8 mmtt -57.62 -38.33 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.99 17.99 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 44.07 37.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -92.72 167.13 12.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 0.7 OUTLIER -100.07 113.4 65.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.8 -39.71 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.17 59.27 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 52' ' ' LEU . 3.4 m -120.94 145.21 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' N ' HG23 ' A' ' 51' ' ' THR . 7.8 mt -124.37 163.33 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 90.2 mt -126.81 110.41 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.94 169.13 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 59' ' ' SER . 1.5 mmmm -53.82 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.02 -175.94 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 58' ' ' GLN . 5.0 t80 -59.19 -15.44 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.536 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 6.6 mm-40 -138.88 90.87 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 18.1 t -160.27 -49.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 68.91 26.03 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -124.08 125.47 25.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.77 24.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 HD21 ' CD ' ' A' ' 55' ' ' LYS . 1.6 mt -89.53 -179.78 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.55 108.59 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -51.59 -46.06 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.7 p -47.72 -35.35 9.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.37 -175.51 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 p -141.98 169.29 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -52.55 -30.95 33.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -58.21 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -41.49 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.25 -61.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.97 23.83 8.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.4 mt -109.06 155.46 20.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -111.88 -20.44 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 12.6 pm0 -130.14 149.71 51.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -141.95 165.91 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 86.2 t80 -116.94 144.32 44.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.69 111.14 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttm -95.68 126.63 41.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.55 109.82 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.1 m -94.45 -34.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 47.61 84.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.46 126.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' OE2' ' CB ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -158.98 -44.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.436 ' CB ' ' OE2' ' A' ' 85' ' ' GLU . 33.4 p -113.33 -53.39 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.04 -163.99 25.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.27 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.52 94.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.03 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 t -116.17 168.49 10.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -116.49 138.26 51.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m 61.07 108.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.65 69.99 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -83.63 -55.45 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 71.0 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.02 -150.42 7.64 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -104.18 87.17 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -121.38 56.58 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 p -102.03 152.16 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.34 158.01 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.6 ptp180 -87.84 116.91 26.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.1 145.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 24' ' ' ILE . 54.2 t -90.42 112.56 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 40' ' ' ILE . 9.7 mm -100.21 96.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.52 122.47 32.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.597 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 24.5 p90 -144.67 172.14 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' CG2' ' A' ' 20' ' ' THR . 6.4 mttt 71.56 6.8 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' CG ' ' OH ' ' A' ' 78' ' ' TYR . 11.7 mttt 59.46 40.05 21.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.41 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 173.2 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.74 154.63 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.25 150.51 30.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.2 t -140.58 160.39 40.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 14' ' ' VAL . 25.7 mm -112.04 139.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -140.09 153.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.81 109.3 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -136.26 176.83 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -84.31 128.38 62.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -79.7 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 147.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.71 149.35 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.2 mt -49.76 -29.66 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -56.54 -33.8 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -93.21 -24.54 18.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.52 10.56 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -70.34 -50.17 15.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.6 Cg_endo -74.94 -42.75 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.425 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.7 mt -55.03 -36.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 15' ' ' ILE . 29.2 mt -80.08 -62.16 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.56 -40.75 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 25.8 t -56.04 -49.47 73.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 39' ' ' ILE . 2.8 mptp? -54.63 -39.99 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 1.2 m -95.6 18.04 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' CYS . 3.7 mt-10 37.75 42.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.3 m-30 -90.18 -170.93 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -118.44 109.72 39.98 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 -48.55 67.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.72 59.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -121.03 135.24 55.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -109.32 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.0 mt -132.72 98.11 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.9 164.28 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' CD ' HD21 ' A' ' 63' ' ' LEU . 7.0 mmmt -55.78 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.93 -176.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -64.35 -23.51 67.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -131.83 86.45 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.71 -46.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 69.68 26.08 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -116.09 113.21 41.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.92 33.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD21 ' CD ' ' A' ' 55' ' ' LYS . 3.3 mt -92.52 171.19 9.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.12 100.79 11.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mt -44.93 -53.72 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.3 p -41.45 -32.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -86.81 153.3 21.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -106.67 174.83 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 2.0 mm? -59.65 -31.85 69.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.66 -49.8 56.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -61.06 -53.26 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.99 -40.85 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.42 33.1 36.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.9 mt -114.16 163.1 15.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.14 1.64 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 19.0 pm0 -151.64 156.35 40.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.78 170.4 21.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.432 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 86.8 t80 -122.19 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.5 111.02 23.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.452 ' CB ' HD23 ' A' ' 54' ' ' LEU . 1.7 ttp -98.12 140.23 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -110.05 102.77 11.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.5 m -79.39 -31.7 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 17.9 t30 51.25 66.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -141.61 -71.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.14 -59.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.9 m 45.09 91.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.78 116.96 1.46 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.04 25.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.1 m -158.94 132.46 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 t -76.36 134.74 39.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -125.04 135.47 52.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -95.58 102.23 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.38 -168.25 11.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t -138.03 86.18 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t 62.55 112.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.56 140.59 6.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.35 39.34 3.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -81.27 55.78 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -109.07 154.65 21.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.3 m -113.5 153.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 24.7 ptt85 -84.07 121.1 26.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.8 t -118.7 147.16 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 43.7 t -92.74 129.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.93 96.08 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -84.79 124.47 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 18.4 p90 -143.72 154.62 43.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER 71.27 6.66 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 20' ' ' THR . 3.6 mtmp? 53.42 29.57 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 36.4 p -156.79 -54.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.43 157.59 18.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.2 151.12 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -137.63 152.64 49.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.455 ' CD1' HG22 ' A' ' 14' ' ' VAL . 22.0 mm -106.03 151.18 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 m -150.71 153.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.36 108.11 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.469 ' CG1' HG22 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -130.29 177.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.35 129.57 50.92 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -85.63 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.644 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.71 155.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 m -84.93 158.99 20.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 38.0 mt -56.01 -38.3 70.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -36.38 23.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.6 -23.67 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.5 mt -95.67 10.46 36.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -72.06 -50.06 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -43.61 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 HG22 ' CG1' ' A' ' 27' ' ' VAL . 3.2 mt -56.63 -26.67 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.6 mt -90.81 -59.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -50.63 -47.39 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 33.0 t -56.29 -41.39 75.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -60.39 -37.82 82.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.4 15.27 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' CYS . 21.5 mt-10 44.89 43.39 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -96.35 177.8 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.88 106.58 53.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -1.29 11.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -48.71 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.434 ' CB ' ' HA ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -129.55 60.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.57 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -120.97 138.13 54.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -112.73 169.82 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 80.8 mt -129.35 96.8 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD23 ' CB ' ' A' ' 80' ' ' MET . 1.6 mm? -90.94 161.59 15.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.474 ' CD ' HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -51.99 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.09 168.47 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.98 -40.02 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -101.67 73.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -171.01 152.56 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -122.04 23.98 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.32 115.37 63.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 142.66 27.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 HD22 ' CD ' ' A' ' 55' ' ' LYS . 15.6 mt -89.46 157.68 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -89.63 100.58 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.2 mt -41.45 -56.5 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.6 p -41.5 -37.42 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 4.1 mmpt? -72.79 151.65 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -106.95 161.72 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.16 -28.94 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -57.08 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -51.81 -42.18 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -73.69 -51.44 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.34 35.21 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.6 mt -121.37 156.55 32.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -117.82 -6.69 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -138.25 150.38 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.59 170.38 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -121.53 142.79 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.6 111.14 23.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.456 ' CB ' HD23 ' A' ' 54' ' ' LEU . 2.1 tpp -97.55 136.86 37.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -101.67 97.51 7.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 83' ' ' ASN . 22.9 m -82.63 -47.85 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' HA ' ' CB ' ' A' ' 50' ' ' HIS . 74.7 m-20 39.35 82.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.15 106.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.73 158.83 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -163.31 108.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.48 177.47 44.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.09 3.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.7 p -169.0 -57.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.5 p -159.29 101.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -84.25 109.95 18.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.54 153.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.17 139.02 4.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.31 101.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.19 113.67 24.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.07 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 168.73 24.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.74 130.4 55.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -146.12 55.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -85.79 152.29 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.37 161.02 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.0 ptp180 -86.49 115.91 24.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.9 t -118.99 130.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 24' ' ' ILE . 83.6 t -89.62 134.99 27.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -112.81 107.64 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.15 116.3 22.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.1 p90 -144.76 163.67 33.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.3 OUTLIER 72.45 5.17 5.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HE2' ' CD2' ' A' ' 57' ' ' TYR . 15.8 mttt 57.11 43.09 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.78 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.6 mt-30 -80.22 151.95 29.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.65 156.19 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 t -149.16 139.12 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.463 HG12 ' CG2' ' A' ' 14' ' ' VAL . 3.6 mt -100.25 147.74 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.52 153.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.48 107.78 18.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.85 179.12 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.32 127.01 67.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.93 20.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -77.51 -63.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.82 148.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.6 150.21 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' ALA . 30.5 mt -49.14 -32.81 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -54.4 -35.09 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.45 -24.23 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.2 mt -95.45 10.3 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.544 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -66.56 -50.16 47.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -42.52 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.33 -28.48 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -88.41 -58.54 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -49.0 62.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 10.1 t -56.7 -41.29 77.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -59.89 -37.33 79.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.07 20.37 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 40.56 45.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.1 m-30 -98.86 -174.28 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 51' ' ' THR . 0.7 OUTLIER -118.41 113.79 36.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -49.7 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 47' ' ' ASP . 1.4 m -121.58 130.87 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.25 171.52 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.2 mt -128.26 96.82 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 1.2 mm? -93.83 151.57 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -54.65 -57.27 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.28 171.11 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.481 ' CD2' ' HE2' ' A' ' 19' ' ' LYS . 5.2 t80 -68.92 -14.66 63.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -105.18 -15.63 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 6.3 m -93.09 -49.99 5.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' GLU . 38.3 mm-40 77.96 -53.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -38.38 129.55 1.06 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.05 37.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.434 HD21 ' CD ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -97.97 176.06 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 115.06 29.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.92 -45.58 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -52.39 -27.96 17.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -89.64 172.36 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -121.98 176.3 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.93 -31.09 71.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.89 -51.07 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.27 79.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mt -69.71 -68.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.29 30.99 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.7 mt -118.58 155.6 30.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.09 -25.4 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -129.43 168.82 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.75 169.02 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -119.05 134.9 54.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.75 120.64 42.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.463 ' HB2' ' CD2' ' A' ' 54' ' ' LEU . 1.9 tpp -105.62 143.77 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.92 105.29 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 83' ' ' ASN . 15.4 m -101.5 -138.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.462 ' N ' ' CG2' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -135.48 -50.15 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.81 102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.79 91.48 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.7 m -169.23 115.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.63 163.89 46.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -58.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.4 p -175.79 162.46 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.4 p -90.81 132.0 36.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -161.34 -56.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.13 102.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.58 -176.85 40.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -159.95 125.13 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -147.21 167.47 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.56 95.43 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -122.72 -179.13 4.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mttt 59.07 56.56 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.405 ' HB ' ' N ' ' A' ' 27' ' ' VAL . 1.6 p -84.9 151.3 24.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.49 152.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.73 106.01 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -103.25 140.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.529 ' CG2' ' CD1' ' A' ' 24' ' ' ILE . 60.7 t -95.04 134.11 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.449 ' HB ' ' CG2' ' A' ' 23' ' ' THR . 15.2 mm -118.42 94.25 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' ND2' ' OE2' ' A' ' 76' ' ' GLU . 62.1 m-80 -85.88 122.43 29.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.4 p90 -144.58 169.85 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 20' ' ' THR . 14.6 mttt 71.71 6.5 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' CG2' ' A' ' 20' ' ' THR . 3.6 mttt 58.67 40.53 23.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER 175.47 -48.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.9 mm-40 -78.34 154.06 31.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.82 150.22 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.449 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.5 t -135.39 157.79 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.529 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 27.5 mm -114.37 136.17 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.9 m -143.8 150.07 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.09 131.23 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' N ' ' HB ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -156.34 172.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 132.7 44.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -17.13 19.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -74.82 -55.34 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.72 144.42 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.36 146.04 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 25.0 mt -46.34 -31.56 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -54.63 -35.0 62.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.93 -23.61 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.0 mt -95.49 10.27 37.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -68.41 -49.95 29.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.0 -43.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -56.68 -27.42 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.6 mt -89.79 -61.53 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -49.83 -48.7 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 23.2 t -53.57 -46.14 70.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -54.84 -38.82 67.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.591 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.66 20.81 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 39.29 36.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -85.59 174.14 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.44 107.45 53.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.42 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.43 -49.51 66.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.18 60.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -120.92 145.62 47.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 mt -120.88 168.75 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 85.8 mt -126.69 103.01 7.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.62 164.18 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CD ' HD22 ' A' ' 63' ' ' LEU . 1.8 mmmm -54.88 -52.02 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.04 -156.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.94 -20.53 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.93 83.51 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.221 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -177.75 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 72.64 3.88 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.07 117.35 68.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 146.78 32.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.469 HD22 ' CD ' ' A' ' 55' ' ' LYS . 5.3 mt -99.12 173.58 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 119.16 38.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.434 ' CD2' HD11 ' A' ' 53' ' ' LEU . 19.3 mt -61.73 -42.74 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -51.64 -21.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -94.6 168.09 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 p -123.99 171.89 9.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -57.65 -31.13 65.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -70.66 -48.69 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.77 -48.6 81.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.92 -48.86 64.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.9 29.49 28.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.0 mt -114.14 164.36 13.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 8.46 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE2' ' ND2' ' A' ' 16' ' ' ASN . 32.6 tt0 -144.8 144.58 31.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -155.45 170.57 21.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -126.42 152.71 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.77 113.84 22.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.8 ttm -106.38 122.61 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.54 104.63 15.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.23 68.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -98.22 83.11 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.18 -55.86 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -118.94 160.98 20.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -120.93 163.68 17.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -158.72 156.52 27.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.435 1.084 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.47 40.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.84 113.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.67 133.6 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m -109.34 157.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -89.24 110.57 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -108.54 149.31 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 9.4 t -99.55 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.3 mm -108.7 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -81.79 127.04 32.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 41.1 p90 -144.51 152.88 41.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 14.0 9.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 9.8 mttp 44.0 30.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -151.72 -52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 46.3 mt-30 -94.74 153.52 17.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.53 152.75 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -139.96 162.44 35.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.441 HG12 HG22 ' A' ' 14' ' ' VAL . 3.5 mt -118.47 141.9 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.99 155.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 108.58 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.554 HG11 ' CG2' ' A' ' 39' ' ' ILE . 8.1 m -139.56 170.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.519 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -75.06 129.8 82.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.66 20.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -70.26 -61.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.14 140.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.8 151.14 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 52.8 mt -50.86 -29.68 12.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -56.93 -34.7 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.743 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.5 mm-40 -92.66 -24.69 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' O ' ' A' ' 28' ' ' SER . 92.4 mt -94.9 10.14 36.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.733 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.18 -50.85 38.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.64 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -54.75 -30.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.48 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.6 mt -88.46 -63.24 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.788 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.4 m -45.82 -46.53 15.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 68.0 m -55.02 -46.09 75.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -57.23 -29.73 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -109.96 22.21 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 39.16 34.28 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -86.18 168.57 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 1.5 t70 -100.84 109.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.21 10.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.62 -37.17 68.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 5.6 m-70 -138.93 57.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.788 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.1 142.21 50.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.5 mt -115.98 159.65 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 84.3 mt -122.16 97.26 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.625 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.6 mm? -90.31 163.52 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.707 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.7 mmmm -51.72 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.49 170.67 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -44.88 -41.81 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -70.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.42 156.01 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 54' ' ' LEU . 13.5 mt-30 -126.33 10.74 7.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -76.71 135.36 68.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.0 144.64 30.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.707 HD21 ' HA ' ' A' ' 55' ' ' LYS . 4.3 mt -94.06 170.46 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.03 116.7 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.6 -57.29 10.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.9 p -40.11 -35.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -82.71 142.59 31.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.0 174.79 5.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -49.39 -32.44 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.17 -58.91 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.18 -40.4 67.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -71.89 -58.9 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.16 34.62 5.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -123.59 160.08 27.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.22 -12.86 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -138.55 153.97 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.35 170.26 19.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 78.8 t80 -122.18 140.52 52.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.88 111.26 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.493 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.5 ttp -96.75 144.32 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.06 165.23 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 -91.13 110.86 22.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.23 145.47 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.066 HG22 HD11 ' A' ' 24' ' ' ILE . 19.9 t -96.9 135.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.512 HD12 ' CG2' ' A' ' 40' ' ' ILE . 8.1 mm -124.96 95.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -85.37 125.0 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.3 p90 -144.48 168.61 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 72.26 6.96 5.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.692 ' C ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 58.91 44.71 16.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 170.29 -48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 36.7 mt-30 -79.93 159.14 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -151.78 150.26 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.488 HG21 ' SG ' ' A' ' 44' ' ' CYS . 12.6 t -133.72 144.54 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.066 HD11 HG22 ' A' ' 14' ' ' VAL . 31.1 mm -103.34 139.09 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 m -141.52 152.3 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.04 111.24 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -132.86 179.35 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.14 31.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.1 19.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.21 -63.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.598 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.65 150.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.53 149.84 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 31.9 mt -48.05 -27.09 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.56 -34.32 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.736 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.6 mm-40 -94.05 -20.12 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 mt -94.61 0.24 55.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -57.02 -50.04 90.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.538 1.81 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.4 mt -57.47 -27.34 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.512 ' CG2' HD12 ' A' ' 15' ' ' ILE . 48.4 mt -88.66 -61.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.707 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.29 -49.48 53.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 20.6 t -53.86 -43.7 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -58.05 -39.66 78.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.88 18.6 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 42.94 42.0 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.3 m-30 -97.68 176.03 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.79 115.34 59.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.36 11.11 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.81 -49.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.627 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.707 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.9 m -120.96 135.18 55.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.2 mt -116.39 158.71 23.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.963 HD12 ' CD2' ' A' ' 65' ' ' LEU . 80.1 mt -122.13 102.61 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.763 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -99.32 166.8 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.515 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -54.24 -53.32 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -161.08 177.91 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -58.24 -39.92 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -65.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 m -54.18 168.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -138.53 21.78 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -92.96 128.48 43.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.589 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.98 138.01 22.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.619 HD11 ' O ' ' A' ' 54' ' ' LEU . 1.4 mt -88.97 167.21 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.24 103.55 15.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.963 ' CD2' HD12 ' A' ' 53' ' ' LEU . 17.0 mt -49.21 -45.42 44.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.6 p -43.06 -43.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -71.85 164.21 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -114.3 169.32 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.3 mm? -56.71 -31.01 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -73.21 -53.68 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.17 -47.4 78.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.3 -55.5 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.06 20.18 28.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.2 mt -104.25 143.83 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 18.7 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 2.9 pm0 -164.21 159.17 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.71 168.94 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -122.75 144.44 49.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.28 112.13 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.4 ttm -98.89 143.0 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.448 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.7 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.79 154.9 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 18.7 ptt180 -82.85 113.54 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -106.82 143.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 24' ' ' ILE . 79.1 t -89.91 104.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.544 ' HB ' HG23 ' A' ' 23' ' ' THR . 14.9 mm -90.97 103.21 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -89.97 123.66 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.596 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.0 p90 -144.74 171.86 13.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.78 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 71.38 6.34 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' C ' HG22 ' A' ' 20' ' ' THR . 7.9 mttt 60.66 32.14 20.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -178.52 -47.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -76.69 161.74 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -149.96 152.46 35.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.544 HG23 ' HB ' ' A' ' 15' ' ' ILE . 4.1 t -140.67 147.56 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.445 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.861 HD11 HG22 ' A' ' 14' ' ' VAL . 15.4 mm -100.96 140.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.0 m -142.27 153.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.6 109.04 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.457 HG12 HG21 ' A' ' 39' ' ' ILE . 1.3 m -134.38 172.96 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.07 129.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.89 16.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -86.43 -62.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.05 155.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.35 147.92 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 19.5 mt -50.56 -29.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -55.82 -34.95 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.77 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.0 mm-40 -90.5 -22.69 21.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.424 HD22 ' HB ' ' A' ' 27' ' ' VAL . 54.0 mt -94.84 9.83 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.747 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.79 -51.01 31.51 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.03 -43.71 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -55.75 -26.0 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.489 ' CG2' HD12 ' A' ' 15' ' ' ILE . 57.4 mt -92.36 -62.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.735 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -48.6 -45.23 37.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 66.6 m -54.27 -43.92 71.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.949 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -57.66 -39.19 76.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -98.11 17.05 19.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 44.94 48.61 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 8.2 m-30 -103.4 -175.47 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 0.3 OUTLIER -114.95 108.49 48.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.81 10.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.74 -36.51 73.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.438 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 5.3 m-70 -139.38 58.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.735 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.5 m -120.97 141.71 50.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.4 mt -113.56 158.34 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.874 HD12 HD23 ' A' ' 65' ' ' LEU . 80.7 mt -121.72 98.89 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -95.23 164.68 12.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -56.17 -62.87 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -147.22 179.66 7.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.36 -49.63 69.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -68.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 149.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -121.74 20.41 10.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.01 118.58 70.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.612 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.95 132.25 15.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.4 mt -80.0 159.62 26.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.19 113.02 25.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.874 HD23 HD12 ' A' ' 53' ' ' LEU . 11.2 mt -57.66 -44.2 85.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -20.49 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -93.91 165.84 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.1 171.25 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.6 mm? -54.64 -32.35 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -69.74 -57.49 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.01 -57.44 10.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.73 -57.21 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.76 28.38 9.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 69' ' ' LEU . 68.1 mt -108.69 147.94 31.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.61 -6.49 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -146.01 150.47 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.74 170.36 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.438 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 73.7 t80 -120.51 146.71 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.61 111.47 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.522 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.3 tpp -95.68 138.98 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.7 m -107.87 165.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -91.26 123.86 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -124.63 137.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.978 HG22 HD11 ' A' ' 24' ' ' ILE . 58.2 t -92.91 121.42 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.521 HD12 ' CG2' ' A' ' 40' ' ' ILE . 23.6 mm -103.78 94.1 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -85.54 125.76 33.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -143.66 156.56 44.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.54 9.34 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' O ' HG23 ' A' ' 20' ' ' THR . 12.5 mtmm 46.02 34.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 19' ' ' LYS . 16.0 p -156.49 -45.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.63 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 152.46 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 15' ' ' ILE . 15.3 t -131.99 159.61 38.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.397 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.978 HD11 HG22 ' A' ' 14' ' ' VAL . 19.6 mm -113.21 140.37 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG12 ' HD2' ' A' ' 43' ' ' LYS . 26.8 m -142.37 154.37 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.18 111.01 22.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.98 170.66 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.543 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -81.77 135.69 48.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.021 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.94 -22.49 14.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -66.79 -61.44 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.638 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.74 145.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p -82.08 148.36 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 46.9 mt -47.93 -31.34 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -56.27 -34.16 66.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.848 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.5 mm-40 -91.72 -22.43 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD11 ' O ' ' A' ' 28' ' ' SER . 87.5 mt -95.8 10.27 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -72.02 -49.76 9.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.0 Cg_endo -75.08 -42.83 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.18 -28.65 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.521 ' CG2' HD12 ' A' ' 15' ' ' ILE . 49.8 mt -88.79 -55.09 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.623 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -53.17 -49.19 67.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -56.27 -40.77 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HD2' HG12 ' A' ' 25' ' ' VAL . 20.7 mmtt -58.79 -40.95 85.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.3 17.44 18.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 43.23 44.95 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -96.31 -175.72 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.29 110.51 47.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.72 10.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.56 -43.23 81.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.02 59.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.623 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.8 m -121.17 135.01 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.3 mt -111.67 166.13 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 ' CD2' ' A' ' 65' ' ' LEU . 76.9 mt -125.8 98.4 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.794 ' O ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -90.57 164.89 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.873 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.4 mmmm -53.1 -56.24 17.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -164.57 -176.44 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.3 -45.29 84.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.99 167.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -137.98 16.35 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -84.3 135.64 41.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.5 Cg_endo -74.96 140.52 25.65 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' A' ' 55' ' ' LYS . 3.5 mt -91.24 162.48 14.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.58 104.8 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.746 ' CD2' HD12 ' A' ' 53' ' ' LEU . 71.5 mt -43.53 -53.58 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -40.88 -39.67 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.08 138.72 39.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 p -101.36 173.22 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.6 mm? -53.0 -29.87 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -73.59 -54.71 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.9 -49.72 76.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.4 -51.68 61.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.44 18.64 56.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 69' ' ' LEU . 52.4 mt -109.24 145.96 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -110.3 -10.76 14.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -122.47 151.53 41.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.76 170.37 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -133.35 144.76 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.25 112.96 26.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 ttm -97.19 141.75 29.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.6 m -112.97 159.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -87.6 121.1 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 15.0 t -121.1 145.18 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.079 HG22 HD11 ' A' ' 24' ' ' ILE . 38.2 t -95.29 130.51 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.525 HD12 ' CG2' ' A' ' 40' ' ' ILE . 13.0 mm -116.32 94.11 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 19.4 p90 -144.47 167.85 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.739 ' O ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER 71.96 7.2 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.634 ' C ' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER 59.47 41.14 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 173.46 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.59 155.67 31.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 150.12 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.506 HG22 ' HB ' ' A' ' 15' ' ' ILE . 14.3 t -136.44 142.23 43.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.079 HD11 HG22 ' A' ' 14' ' ' VAL . 31.0 mm -100.46 146.19 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.43 154.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.16 108.64 19.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -127.54 -175.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.545 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -97.44 132.11 25.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.05 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -78.46 -59.13 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.95 149.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -83.58 154.93 23.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 51.6 mt -52.77 -34.79 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -53.18 -35.3 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.815 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.2 mm-40 -90.21 -23.32 21.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD11 ' O ' ' A' ' 28' ' ' SER . 93.5 mt -95.87 10.38 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.55 -49.67 11.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.03 -42.63 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.61 -28.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.525 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.8 mt -88.45 -60.4 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.512 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -50.62 -48.75 57.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 65.3 m -53.49 -44.9 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.51 -40.73 75.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.39 20.66 13.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 39.74 47.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.21 173.4 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -105.48 111.55 64.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.31 -49.87 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -129.21 60.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.512 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.7 m -121.06 137.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.1 mt -111.85 159.24 18.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 82.1 mt -120.79 101.59 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.795 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -102.72 161.55 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HD2' ' CB ' ' A' ' 61' ' ' GLU . 24.6 mtpt -55.04 -62.03 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.19 169.71 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.366 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.466 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 1.9 t80 -52.5 -36.25 54.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.24 158.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -128.6 13.28 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . 4.1 mt-10 -78.91 122.26 84.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.464 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.06 138.19 22.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.39 151.87 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -90.53 109.41 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 p -39.16 -33.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ASP . 3.3 mmpt? -84.01 138.8 32.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -99.46 -177.43 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 74' ' ' LEU . 1.7 mm? -61.43 -32.02 71.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.1 -48.87 40.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.19 -45.39 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.43 -70.87 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.6 9.62 11.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 69' ' ' LEU . 78.8 mt -104.32 151.31 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 2.5 tpt180 -110.77 -10.46 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -129.72 151.66 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.85 167.58 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.407 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 75.9 t80 -125.25 146.79 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.65 111.25 23.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 ttm -103.05 136.87 42.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.8 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.58 156.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ptt-85 -84.55 124.11 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -119.77 143.3 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.913 HG22 HD11 ' A' ' 24' ' ' ILE . 37.7 t -89.97 112.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.693 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.0 mm -95.28 99.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -90.26 124.65 35.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 28.5 p90 -144.51 157.33 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 64.94 12.87 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 20' ' ' THR . 33.4 mtmt 44.77 31.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 19' ' ' LYS . 16.1 p -154.79 -50.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 68.1 mt-30 -94.3 154.53 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -151.17 149.97 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -137.13 158.42 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.913 HD11 HG22 ' A' ' 14' ' ' VAL . 21.9 mm -109.19 138.38 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG12 ' HG2' ' A' ' 43' ' ' LYS . 22.5 m -138.37 152.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 114.7 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.508 ' HB ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -139.25 176.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -84.53 128.49 61.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -85.16 -63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.614 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.41 156.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.68 148.92 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.506 ' CD2' HD21 ' A' ' 69' ' ' LEU . 52.4 mt -50.09 -30.42 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.86 -34.64 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.884 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -92.18 -21.98 20.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 40' ' ' ILE . 53.3 mt -96.44 10.37 38.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -75.57 -50.1 3.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -44.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.59 -24.62 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.693 ' CG2' HD12 ' A' ' 15' ' ' ILE . 57.4 mt -93.48 -53.3 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.498 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -54.22 -39.51 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.302 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -44.02 80.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -58.79 -40.77 84.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.501 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -94.69 15.21 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 108.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 42.35 39.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -89.83 -172.45 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -121.11 112.97 32.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -64.19 -49.79 70.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.27 59.88 1.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.627 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.498 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.8 m -121.15 139.59 53.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -111.07 169.31 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.91 HD12 HD23 ' A' ' 65' ' ' LEU . 83.4 mt -129.68 96.89 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.3 mm? -93.63 158.93 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.51 ' CD ' HD21 ' A' ' 63' ' ' LEU . 5.5 mmmt -51.28 -57.19 9.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -158.38 -161.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -84.66 -37.43 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.63 -25.67 63.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -99.55 168.61 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -136.04 10.19 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -83.08 130.38 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.646 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.01 157.39 42.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.51 HD21 ' CD ' ' A' ' 55' ' ' LYS . 6.3 mt -107.95 167.05 10.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.34 105.67 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.91 HD23 HD12 ' A' ' 53' ' ' LEU . 12.4 mt -46.87 -50.88 17.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.2 p -40.08 -38.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 150.31 34.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -103.75 168.13 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD21 ' CD2' ' A' ' 33' ' ' LEU . 2.5 mm? -54.4 -30.37 51.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -73.46 -56.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -53.44 -40.01 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.9 mt -76.62 -61.56 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 97.39 39.46 3.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.8 141.78 47.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -3.49 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 3.5 pm0 -150.34 150.31 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.405 HD13 HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -150.13 170.46 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -124.35 143.21 50.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.73 111.02 23.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.465 ' HB2' HD23 ' A' ' 54' ' ' LEU . 5.1 ttp -99.97 152.18 20.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.426 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.0 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.408 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 29.4 m -109.64 153.6 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 20.6 ptt180 -82.04 119.62 24.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.22 143.94 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.916 HG22 HD11 ' A' ' 24' ' ' ILE . 65.3 t -91.96 109.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.677 HD12 ' CG2' ' A' ' 40' ' ' ILE . 21.2 mm -93.08 96.54 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -86.72 124.41 32.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 50.5 p90 -144.6 158.85 43.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mttm 67.41 10.3 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 20' ' ' THR . 6.0 mtmt 49.97 29.87 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 19' ' ' LYS . 13.6 p -157.95 -53.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 66.4 mt-30 -86.89 157.19 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -151.72 150.37 30.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -137.38 143.46 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.916 HD11 HG22 ' A' ' 14' ' ' VAL . 15.0 mm -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG12 ' HG2' ' A' ' 43' ' ' LYS . 22.0 m -137.67 152.59 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.8 106.75 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.426 ' C ' HG22 ' A' ' 10' ' ' THR . 4.6 m -133.97 171.53 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -82.35 133.0 51.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.98 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.68 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.36 147.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.09 150.77 30.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.9 mt -51.23 -32.85 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.61 -34.4 50.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.803 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.4 mm-40 -92.7 -23.05 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 28' ' ' SER . 60.3 mt -95.46 10.55 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.0 -50.42 16.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.803 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.0 mt -54.92 -30.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.677 ' CG2' HD12 ' A' ' 15' ' ' ILE . 51.4 mt -88.83 -55.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.631 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.2 m -49.99 -45.74 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 t -52.84 -49.74 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HG2' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -53.89 -40.13 66.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -97.04 20.13 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 108.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 38.58 35.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -88.46 174.67 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.87 112.44 63.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.0 -49.51 67.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.56 59.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.631 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -121.2 137.02 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.447 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.6 mt -111.8 163.82 13.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.995 HD12 ' CD2' ' A' ' 65' ' ' LEU . 82.8 mt -123.29 98.17 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.694 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.1 mm? -97.12 166.88 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HD3' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -58.13 -65.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.34 -177.83 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.93 -17.24 22.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.73 86.32 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 8.4 m -168.76 -48.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 64.74 16.18 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.47 119.12 52.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.628 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -75.01 147.25 33.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.467 ' CD2' ' HD3' ' A' ' 55' ' ' LYS . 4.1 mt -92.57 175.1 6.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.9 100.21 9.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.995 ' CD2' HD12 ' A' ' 53' ' ' LEU . 32.0 mt -47.69 -48.88 29.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 66' ' ' THR . 70.1 p -46.07 -33.48 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.9 172.93 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -125.13 165.38 18.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.8 mm? -52.3 -30.53 28.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.07 -52.49 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.04 -51.94 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.177 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.6 mt -65.85 -47.57 74.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.73 11.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.16 151.21 33.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' NH1' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -108.82 -17.72 13.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 24.6 pm0 -136.69 158.41 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.93 169.55 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -121.69 143.18 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.21 111.15 23.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 51' ' ' THR . 1.8 ttp -94.75 141.17 28.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.2 m -107.37 164.5 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.65 110.11 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 69.0 t -114.0 137.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.709 HG22 ' CG1' ' A' ' 24' ' ' ILE . 69.1 t -91.4 146.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.438 HD12 ' CG2' ' A' ' 40' ' ' ILE . 13.8 mm -128.47 94.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 40.9 m-80 -83.36 118.65 23.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 23.8 p90 -144.5 168.86 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.787 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER 72.0 6.32 5.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.64 ' C ' HG22 ' A' ' 20' ' ' THR . 2.2 mtmt 57.3 43.73 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.32 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -80.68 150.06 29.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.24 154.73 36.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t -152.8 151.38 30.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.709 ' CG1' HG22 ' A' ' 14' ' ' VAL . 2.0 mt -105.95 145.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 155.02 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -103.65 110.14 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 10' ' ' THR . 2.5 m -138.62 176.7 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -86.45 132.22 43.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.02 -25.09 12.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -62.99 -54.31 40.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.61 148.16 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.17 152.67 22.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 39.3 mt -51.31 -28.12 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -58.57 -37.74 76.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.734 ' O ' HD12 ' A' ' 39' ' ' ILE . 10.1 mm-40 -89.04 -23.23 22.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.532 HD11 ' O ' ' A' ' 28' ' ' SER . 93.0 mt -95.42 10.23 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.66 -50.37 35.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.3 -28.18 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' A' ' 15' ' ' ILE . 51.5 mt -89.34 -62.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.681 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -48.34 -46.32 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 59.3 m -57.29 -45.95 83.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.31 -26.78 65.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -110.57 18.48 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.75 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -100.3 -177.38 3.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.71 112.79 47.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.97 -49.71 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 59.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.681 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -120.98 133.85 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.1 mt -109.48 159.68 16.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.878 HD12 ' CD2' ' A' ' 65' ' ' LEU . 78.7 mt -122.95 103.74 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.742 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -98.54 158.35 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.693 ' HG2' HD21 ' A' ' 63' ' ' LEU . 6.7 mtpt -55.56 -47.8 75.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.94 168.19 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.25 -40.9 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -68.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.7 m -52.97 165.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -135.55 17.14 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 5.9 mt-10 -91.88 134.6 28.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.445 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.99 145.16 31.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.693 HD21 ' HG2' ' A' ' 55' ' ' LYS . 37.5 mt -91.94 148.1 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.47 108.96 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.878 ' CD2' HD12 ' A' ' 53' ' ' LEU . 44.4 mt -54.56 -52.15 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -28.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.84 143.74 27.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 168.94 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.7 mm? -57.76 -33.76 68.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.82 -43.99 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -65.45 -50.1 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.32 -54.17 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.01 28.75 22.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.2 mt -115.78 116.93 28.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.22 9.52 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -145.73 154.52 42.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.45 170.34 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 63.0 t80 -131.74 148.26 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.82 111.28 23.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.8 ttm -105.9 131.5 53.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -112.91 165.96 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -88.42 112.64 23.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.42 139.52 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.955 HG22 HD11 ' A' ' 24' ' ' ILE . 59.5 t -95.73 123.58 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mm -106.19 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -85.31 124.42 31.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 32.8 p90 -143.06 158.53 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 67.73 11.11 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.414 ' C ' HG23 ' A' ' 20' ' ' THR . 13.3 mtpt 44.52 30.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 19' ' ' LYS . 16.5 p -153.63 -47.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -99.66 160.26 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.86 156.75 42.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.624 HG21 ' SG ' ' A' ' 44' ' ' CYS . 14.8 t -144.26 141.84 30.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.955 HD11 HG22 ' A' ' 14' ' ' VAL . 4.2 mm -98.69 144.25 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.41 153.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -105.48 107.36 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.517 ' CG1' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -128.27 171.19 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.51 134.57 33.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -10.14 21.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -79.17 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.24 150.6 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.95 150.98 23.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.5 mt -47.35 -33.2 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.72 -35.46 63.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.828 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -90.07 -22.13 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD22 ' CG1' ' A' ' 27' ' ' VAL . 50.1 mt -95.66 10.28 37.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.45 -50.04 11.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -75.03 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.828 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.0 mt -55.09 -32.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' LYS . 60.4 mt -84.48 -65.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.716 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.3 m -45.05 -45.78 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 70.2 m -58.99 -39.49 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ILE . 20.0 mmtt -64.09 -24.38 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.624 ' SG ' HG21 ' A' ' 23' ' ' THR . 0.8 OUTLIER -116.98 20.49 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' CYS . 38.6 mt-10 38.79 41.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.2 m-30 -92.06 165.63 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -97.41 110.43 54.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.36 -15.88 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 50' ' ' HIS . 3.2 p-80 -155.46 53.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.716 HG21 ' SG ' ' A' ' 41' ' ' CYS . 5.8 m -120.07 136.16 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 52' ' ' LEU . 7.4 mt -115.78 167.46 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.749 HD12 ' CD2' ' A' ' 65' ' ' LEU . 76.9 mt -129.56 107.97 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.781 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.14 170.9 7.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 59' ' ' SER . 6.9 mmmt -55.1 -55.75 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.31 -178.41 7.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.408 ' CD1' ' HG2' ' A' ' 19' ' ' LYS . 5.8 t80 -61.13 -23.59 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.97 53.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -150.99 166.08 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -134.62 13.27 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.09 115.67 65.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 128.54 11.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -78.39 159.55 28.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.62 121.7 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.749 ' CD2' HD12 ' A' ' 53' ' ' LEU . 12.2 mt -61.56 -50.36 72.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.6 p -44.04 -33.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.21 151.1 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -100.92 171.74 7.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.3 mm? -58.01 -28.76 64.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -72.55 -55.06 7.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -53.78 -40.64 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.5 mt -76.96 -66.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 99.54 35.97 4.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 69' ' ' LEU . 16.5 mt -125.17 122.49 37.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.91 -6.43 55.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -125.97 151.3 47.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.7 170.35 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.429 ' HD2' HD23 ' A' ' 54' ' ' LEU . 73.8 t80 -131.03 145.08 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.23 111.65 24.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.7 ttm -101.49 141.22 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -112.03 150.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.5 ptt180 -79.06 113.84 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -108.55 146.96 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 24' ' ' ILE . 56.1 t -93.3 124.81 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.2 mm -113.25 94.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -85.42 124.48 32.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 40.1 p90 -144.52 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 20' ' ' THR . 3.0 mmtt 67.77 9.24 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.709 ' C ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER 58.01 46.07 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 167.88 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -75.05 150.07 39.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 153.3 41.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.443 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.3 t -144.2 150.47 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.052 HD11 HG22 ' A' ' 14' ' ' VAL . 30.8 mm -107.2 142.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 m -144.32 152.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.61 107.93 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.99 164.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.32 133.44 64.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.59 -64.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.15 153.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.7 153.19 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 9.7 mt -50.18 -28.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -58.43 -34.73 71.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.836 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.3 mm-40 -94.31 -20.7 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 40' ' ' ILE . 47.7 mt -96.96 10.27 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.23 -49.72 12.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -74.94 -41.0 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -59.59 -28.23 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.503 ' CG2' HD12 ' A' ' 15' ' ' ILE . 49.7 mt -87.9 -57.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.735 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -53.54 -49.45 67.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.3 t -56.57 -40.48 75.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 19.1 mmtt -58.27 -38.13 76.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.03 18.17 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.256 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 44.39 45.73 7.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -98.58 178.35 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 0.2 OUTLIER -106.2 105.79 55.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -1.1 10.78 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.6 mp -69.71 -34.96 74.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.423 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -140.02 58.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.562 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.735 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.2 m -120.99 137.61 54.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.8 mt -113.21 160.03 18.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.849 HD12 ' CD2' ' A' ' 65' ' ' LEU . 82.9 mt -119.97 97.61 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -96.5 162.51 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.9 mmmm -52.64 -58.73 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -155.74 177.42 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.14 -48.04 74.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -62.68 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -56.42 161.34 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -130.67 11.73 5.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.53 123.92 82.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.551 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.1 Cg_endo -75.06 144.86 30.54 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.515 HD11 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -95.16 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 118.55 31.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.849 ' CD2' HD12 ' A' ' 53' ' ' LEU . 13.4 mt -64.37 -35.37 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -60.82 -14.16 20.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -103.51 147.66 26.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 p -98.68 179.64 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -65.67 -30.1 70.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.75 -49.19 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -59.36 -48.71 80.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 33' ' ' LEU . 25.0 mt -66.23 -52.26 49.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.21 28.78 10.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.25 158.07 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.71 6.33 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -152.01 164.93 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.435 HD11 HD13 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -160.66 170.48 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 89.4 t80 -122.04 142.45 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.98 111.39 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.7 ttm -96.04 141.22 29.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -105.96 154.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 14.4 ptt180 -85.12 114.06 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.79 141.26 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.031 HG22 HD11 ' A' ' 24' ' ' ILE . 30.7 t -93.28 106.92 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 40' ' ' ILE . 25.9 mm -94.96 100.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -91.51 129.29 37.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 33.2 p90 -144.38 155.02 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 69.98 7.87 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HE2' ' CE2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER 52.29 29.88 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 19' ' ' LYS . 36.0 p -155.9 -49.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 72.3 mt-30 -94.13 154.68 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 153.76 36.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -138.06 146.4 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 14' ' ' VAL . 28.0 mm -100.98 144.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -143.3 153.35 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -112.66 110.88 21.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.57 HG11 HG21 ' A' ' 39' ' ' ILE . 3.1 m -139.66 172.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 130.33 73.24 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.89 21.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -72.19 -63.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.77 143.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -77.97 149.99 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 26.0 mt -49.53 -29.81 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -55.27 -34.97 64.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.787 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.9 mm-40 -91.76 -22.05 20.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.75 7.51 46.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.77 -49.37 38.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -74.98 -43.93 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -55.02 -35.67 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 15' ' ' ILE . 43.8 mt -80.69 -62.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.556 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -46.36 -48.94 18.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 43.5 t -51.75 -54.06 32.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -52.95 -34.93 57.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -100.18 20.36 14.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.338 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' CYS . 5.8 mt-10 38.09 35.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -93.84 163.11 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.06 112.83 62.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -46.91 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.03 58.57 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.554 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.556 HG21 ' SG ' ' A' ' 41' ' ' CYS . 3.8 m -113.23 146.77 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 52' ' ' LEU . 5.6 mt -123.04 160.62 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.528 HD22 HD13 ' A' ' 77' ' ' LEU . 94.3 mt -122.18 104.77 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.779 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -98.83 164.85 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.721 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -52.48 -64.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.3 -173.3 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 3.4 t80 -59.96 -40.11 87.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -73.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -55.75 166.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -135.54 14.23 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 134.13 61.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.02 138.59 23.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.779 HD11 ' O ' ' A' ' 54' ' ' LEU . 3.6 mt -91.04 158.38 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.08 123.87 36.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD23 HD12 ' A' ' 53' ' ' LEU . 15.5 mt -58.46 -57.81 11.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -39.6 -31.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.425 ' HG2' HG23 ' A' ' 66' ' ' THR . 0.2 OUTLIER -84.22 142.57 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -110.38 170.8 7.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.5 mm? -49.73 -29.59 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -73.45 -51.27 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -52.0 66.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.61 -52.69 56.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.91 22.44 30.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 69' ' ' LEU . 74.6 mt -106.31 159.52 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -123.89 11.07 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -154.23 152.87 30.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.528 HD13 HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -156.69 169.78 23.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -125.38 147.72 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.95 111.32 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.6 ttm -100.4 133.36 44.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.59 155.67 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 13.9 ptp180 -85.06 115.64 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -107.4 144.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.059 HG22 HD11 ' A' ' 24' ' ' ILE . 71.7 t -94.12 116.48 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.519 HD12 ' CG2' ' A' ' 40' ' ' ILE . 21.4 mm -104.39 99.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.54 123.18 32.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 21.4 p90 -144.44 170.66 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 20' ' ' THR . 7.3 mttt 71.32 6.94 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.602 ' C ' HG22 ' A' ' 20' ' ' THR . 13.4 mttt 58.93 39.47 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 175.04 -46.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.372 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 16.6 mt-30 -78.68 154.49 30.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.85 149.8 31.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.9 t -136.35 163.13 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 HG22 ' A' ' 14' ' ' VAL . 28.7 mm -115.84 145.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.412 HG12 ' HD2' ' A' ' 43' ' ' LYS . 23.7 m -146.48 153.21 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -111.91 109.9 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.673 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -135.52 -177.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.436 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -88.64 126.58 59.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -87.19 -48.81 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.19 153.26 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 146.68 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 50.7 mt -47.41 -36.17 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.78 -35.65 32.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.812 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.3 mm-40 -89.77 -22.93 21.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 40' ' ' ILE . 92.2 mt -95.44 10.35 36.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.728 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.06 -50.23 16.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.728 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.812 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -56.26 -31.56 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 77' ' ' LEU . 44.6 mt -85.49 -60.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.51 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -49.39 -52.13 30.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 67.0 m -51.95 -48.78 64.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HD2' HG12 ' A' ' 25' ' ' VAL . 25.5 mmtt -51.55 -39.41 57.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.51 22.99 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 38.9 46.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.0 169.91 8.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.79 114.34 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.19 9.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.02 -49.74 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 60.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.51 HG21 ' SG ' ' A' ' 41' ' ' CYS . 18.1 m -121.08 148.64 43.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.7 mt -124.1 168.26 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.806 HD12 ' CD2' ' A' ' 65' ' ' LEU . 95.3 mt -129.64 100.69 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.797 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -103.75 164.39 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -59.38 -50.77 72.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -155.06 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.87 -35.99 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -70.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -40.45 152.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -123.57 25.33 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.57 118.47 63.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -74.98 137.95 22.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 53' ' ' LEU . 3.1 mt -80.78 158.24 25.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 109.38 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.806 ' CD2' HD12 ' A' ' 53' ' ' LEU . 16.7 mt -56.27 -37.62 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -61.83 -13.31 22.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -99.46 178.9 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 p -130.44 162.8 28.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 74' ' ' LEU . 3.1 mm? -50.01 -31.21 12.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.37 -55.64 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.28 -42.61 66.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.9 -67.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.75 16.47 9.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 69' ' ' LEU . 50.3 mt -103.83 146.25 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.77 -9.35 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -136.37 153.53 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.584 HD13 HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -147.65 168.23 22.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.84 144.91 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.57 111.35 24.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 ttm -98.16 141.99 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.1 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 m -109.02 153.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -81.12 117.97 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -110.44 140.9 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.031 HG22 HD11 ' A' ' 24' ' ' ILE . 16.2 t -94.78 112.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.508 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.7 mm -97.77 108.92 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -95.69 125.02 39.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 35.2 p90 -144.45 155.32 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mttt 69.29 8.29 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' C ' HG23 ' A' ' 20' ' ' THR . 17.0 mttp 51.02 29.49 4.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 19' ' ' LYS . 37.3 p -156.71 -52.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 60.0 mt-30 -89.42 159.53 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.49 153.26 34.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 t -137.79 138.88 39.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 14' ' ' VAL . 27.5 mm -95.79 147.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.7 m -150.05 153.43 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.88 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.512 ' C ' HG22 ' A' ' 10' ' ' THR . 0.3 OUTLIER -135.49 -178.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.54 130.88 47.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.53 20.78 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.25 -64.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.65 148.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.55 149.75 27.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 72' ' ' LEU . 6.5 mt -49.93 -32.88 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.15 -34.76 58.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.767 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.6 mm-40 -90.67 -23.24 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 39' ' ' ILE . 55.9 mt -96.07 10.3 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -68.81 -49.83 25.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.02 -41.03 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.767 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.767 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -58.73 -30.11 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.508 ' CG2' HD12 ' A' ' 15' ' ' ILE . 44.5 mt -86.39 -58.88 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.691 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -51.84 -50.1 61.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -55.09 -39.75 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 26.3 mmtt -62.11 -35.94 80.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.528 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.14 12.7 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 50.92 39.37 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -98.09 179.6 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.02 117.6 43.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.75 -49.79 73.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.73 60.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.634 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.691 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.4 m -120.79 145.64 47.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HA ' HD23 ' A' ' 52' ' ' LEU . 6.3 mt -128.01 160.01 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' A' ' 65' ' ' LEU . 83.7 mt -120.91 101.1 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 62' ' ' PRO . 1.7 mm? -92.15 156.94 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.76 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.4 mmmt -48.37 -67.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -145.85 167.87 22.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.64 -47.34 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.47 -63.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 56' ' ' ASP . 36.7 t -55.12 135.16 49.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.569 ' O ' HD12 ' A' ' 54' ' ' LEU . 3.3 pt20 -99.9 -6.44 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 126.94 92.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.04 168.5 24.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.803 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 55' ' ' LYS . 7.5 mt -108.6 178.59 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.25 108.96 18.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.705 ' CD2' HD12 ' A' ' 53' ' ' LEU . 13.2 mt -60.27 -24.63 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 p -73.27 -10.0 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 mmpp? -103.48 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -125.03 166.13 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.5 mm? -56.27 -28.5 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.78 -46.05 47.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.7 -39.78 91.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 33' ' ' LEU . 25.5 mt -75.11 -52.21 11.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.97 25.52 26.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 69' ' ' LEU . 48.7 mt -112.47 146.44 38.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -112.54 9.74 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -153.61 154.4 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.3 167.02 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -116.2 146.67 42.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.93 111.02 23.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.431 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.7 ttp -97.91 146.22 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -122.14 154.51 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.4 ptp180 -81.24 115.22 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -108.72 142.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.984 HG22 HD11 ' A' ' 24' ' ' ILE . 48.1 t -91.04 110.62 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.572 HD12 ' CG2' ' A' ' 40' ' ' ILE . 12.5 mm -100.22 97.95 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -87.88 123.55 32.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 23.4 p90 -144.56 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.758 ' O ' HG22 ' A' ' 20' ' ' THR . 0.1 OUTLIER 71.55 7.05 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.655 ' C ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER 58.22 42.59 21.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.63 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -80.44 157.31 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -149.75 150.69 32.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -138.8 148.44 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 14' ' ' VAL . 25.6 mm -102.56 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 m -143.24 154.08 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 107.09 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 39' ' ' ILE . 12.9 m -138.04 168.58 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.537 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -73.82 123.4 89.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -75.05 -56.47 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.578 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.55 146.45 27.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 12.7 mt -46.78 -32.54 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -53.81 -33.87 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.1 mm-40 -92.9 -22.94 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 28' ' ' SER . 67.0 mt -95.75 10.09 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -69.53 -50.66 18.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.421 1.748 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.797 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -55.66 -26.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.572 ' CG2' HD12 ' A' ' 15' ' ' ILE . 60.0 mt -92.71 -62.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.878 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.3 m -47.65 -45.24 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 47.6 t -52.75 -41.03 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -58.12 -44.69 87.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -96.34 16.76 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.0 mt-10 45.83 46.35 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 7.2 m-30 -99.52 170.59 8.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' THR . 22.3 p-10 -98.75 109.77 54.67 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.93 10.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 49' ' ' LEU . 9.3 mt -85.3 -37.49 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.98 42.68 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.878 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.02 140.92 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 52' ' ' LEU . 8.0 mt -113.39 168.01 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.89 HD12 HD23 ' A' ' 65' ' ' LEU . 88.2 mt -124.64 102.94 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.766 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -100.28 158.3 15.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -51.75 -59.2 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.45 -173.91 4.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD2' ' HG3' ' A' ' 58' ' ' GLN . 9.4 t80 -63.05 -24.77 68.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG3' ' CD2' ' A' ' 57' ' ' TYR . 4.4 mt-30 -128.53 83.23 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -155.08 -47.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 64.24 24.5 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.38 115.9 44.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.59 23.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -89.33 -174.59 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.42 105.32 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 53' ' ' LEU . 15.4 mt -51.09 -48.33 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.405 ' H ' HG23 ' A' ' 66' ' ' THR . 64.4 p -44.61 -39.39 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.45 165.32 25.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.48 165.17 13.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.6 mm? -53.85 -35.69 61.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.3 -48.24 57.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.39 -54.35 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.03 -54.02 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.71 25.59 13.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.11 150.96 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.87 17.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 4.8 pm0 -162.15 156.45 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.67 170.56 19.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.433 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 44.3 t80 -124.79 151.28 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.49 114.7 26.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 32.6 ttm -103.48 142.0 35.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.3 m -110.17 151.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -83.29 109.48 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.0 t -104.08 145.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.015 HG22 HD11 ' A' ' 24' ' ' ILE . 66.0 t -99.18 123.39 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 22.1 mm -108.73 94.2 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -85.73 126.18 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 38.7 p90 -144.62 165.37 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER 69.8 8.53 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' C ' HG22 ' A' ' 20' ' ' THR . 40.7 mttt 60.51 37.74 19.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER 179.76 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -67.85 144.5 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 3.3 pttt -143.93 150.11 37.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 t -137.7 140.19 40.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.015 HD11 HG22 ' A' ' 14' ' ' VAL . 30.4 mm -97.64 141.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 m -144.54 153.84 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -109.25 114.67 28.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.531 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -137.37 -174.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.42 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -94.95 130.84 31.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.41 21.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -73.95 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.66 152.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.98 151.76 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 15.3 mt -51.37 -29.21 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -57.85 -34.36 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.4 mm-40 -92.37 -22.33 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 39' ' ' ILE . 82.4 mt -96.1 10.25 38.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.718 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.54 -49.95 49.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.05 -44.06 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -53.8 -35.7 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.9 mt -82.09 -64.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.717 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.2 m -43.97 -44.69 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 34.9 t -51.15 -57.4 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -36.17 62.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -94.92 17.38 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.2 mt-10 38.44 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -87.52 167.73 13.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.86 112.53 63.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 50' ' ' HIS . 0.4 OUTLIER -65.93 -49.83 66.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -129.19 60.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.717 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -121.06 143.23 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.19 172.39 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.968 HD12 ' CD2' ' A' ' 65' ' ' LEU . 81.9 mt -132.69 103.35 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.755 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.6 164.23 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.74 -161.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.17 -38.69 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -53.62 55.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 p -83.71 179.81 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.603 ' O ' HD12 ' A' ' 54' ' ' LEU . 26.8 mt-30 -141.27 18.28 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.06 125.5 90.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.562 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.99 143.76 29.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.2 mt -95.01 168.82 10.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.08 107.41 19.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.968 ' CD2' HD12 ' A' ' 53' ' ' LEU . 15.1 mt -53.42 -40.5 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 p -51.09 -36.47 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -77.62 167.78 21.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -121.14 167.79 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.4 mm? -55.86 -30.19 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.0 -49.56 28.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.84 -42.92 94.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 mt -73.84 -58.8 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.68 28.37 10.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.7 mt -107.74 140.36 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -107.02 17.33 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 77' ' ' LEU . 2.7 tm-20 -163.86 150.05 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.427 ' CA ' ' OE2' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -153.77 170.4 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -123.68 140.35 53.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.67 114.37 28.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 ttm -100.17 143.35 30.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.412 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.5 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.465 HG11 ' HG3' ' A' ' 29' ' ' PRO . 35.0 m -117.17 161.38 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -84.85 111.09 19.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 75' ' ' ARG . 96.2 t -105.98 142.63 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.875 HG22 HD11 ' A' ' 24' ' ' ILE . 70.8 t -100.35 103.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.51 HD12 ' CG2' ' A' ' 40' ' ' ILE . 24.1 mm -85.59 119.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -112.5 125.03 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.8 p90 -142.66 154.94 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 70.84 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 28.1 mtpt 53.26 31.95 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 19' ' ' LYS . 34.9 p -156.66 -58.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -86.76 152.67 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -148.91 147.16 28.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 t -126.51 150.89 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.875 HD11 HG22 ' A' ' 14' ' ' VAL . 5.4 mm -105.82 139.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG12 ' HD2' ' A' ' 43' ' ' LYS . 25.3 m -145.44 153.69 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -108.99 107.53 17.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.505 ' HB ' HD22 ' A' ' 36' ' ' LEU . 1.9 m -131.77 169.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -84.02 132.58 47.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.465 ' HG3' HG11 ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.04 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -85.15 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.62 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.62 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.7 mt -49.75 -35.08 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -51.21 -34.86 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.869 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.7 mm-40 -90.68 -22.94 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 40' ' ' ILE . 57.9 mt -95.95 10.46 37.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -74.11 -49.82 5.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -44.01 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.869 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.6 -26.89 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.569 HD13 HD11 ' A' ' 77' ' ' LEU . 54.0 mt -90.15 -59.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.791 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.55 -49.02 57.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 108.288 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -53.77 -44.65 70.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HG12 ' A' ' 25' ' ' VAL . 21.8 mmtt -57.62 -38.33 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.99 17.99 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 44.07 37.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -92.72 167.13 12.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.07 113.4 65.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.8 -39.71 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.17 59.27 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.791 HG21 ' SG ' ' A' ' 41' ' ' CYS . 3.4 m -120.94 145.21 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 52' ' ' LEU . 7.8 mt -124.37 163.33 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 77' ' ' LEU . 90.2 mt -126.81 110.41 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.784 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.94 169.13 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.676 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -53.82 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.02 -175.94 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 58' ' ' GLN . 5.0 t80 -59.19 -15.44 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.536 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 6.6 mm-40 -138.88 90.87 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 18.1 t -160.27 -49.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 68.91 26.03 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -124.08 125.47 25.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.431 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.05 139.77 24.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 54' ' ' LEU . 1.6 mt -89.53 -179.78 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.55 108.59 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -51.59 -46.06 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.7 p -47.72 -35.35 9.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.37 -175.51 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 p -141.98 169.29 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.8 mm? -52.55 -30.95 33.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -58.21 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -41.49 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.25 -61.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.97 23.83 8.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.4 mt -109.06 155.46 20.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 13' ' ' VAL . 1.6 mmt-85 -111.88 -20.44 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 12.6 pm0 -130.14 149.71 51.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.569 HD11 HD13 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -141.95 165.91 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 86.2 t80 -116.94 144.32 44.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.69 111.14 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttm -95.68 126.63 41.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.34 158.01 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.6 ptp180 -87.84 116.91 26.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.1 145.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.967 HG22 HD11 ' A' ' 24' ' ' ILE . 54.2 t -90.42 112.56 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.566 HD12 ' CG2' ' A' ' 40' ' ' ILE . 9.7 mm -100.21 96.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.52 122.47 32.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.597 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 24.5 p90 -144.67 172.14 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.74 ' O ' HG22 ' A' ' 20' ' ' THR . 6.4 mttt 71.56 6.8 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.617 ' C ' HG22 ' A' ' 20' ' ' THR . 11.7 mttt 59.46 40.05 21.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 173.2 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.74 154.63 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.25 150.51 30.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.2 t -140.58 160.39 40.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.967 HD11 HG22 ' A' ' 14' ' ' VAL . 25.7 mm -112.04 139.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -140.09 153.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.81 109.3 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' C ' HG22 ' A' ' 10' ' ' THR . 2.6 m -136.26 176.83 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.582 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.8 t -84.31 128.38 62.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -79.7 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 147.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.71 149.35 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.2 mt -49.76 -29.66 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -56.54 -33.8 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.804 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.2 mm-40 -93.21 -24.54 18.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 28' ' ' SER . 82.5 mt -95.52 10.56 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.34 -50.17 15.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.6 Cg_endo -74.94 -42.75 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.7 mt -55.03 -36.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.566 ' CG2' HD12 ' A' ' 15' ' ' ILE . 29.2 mt -80.08 -62.16 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -46.56 -40.75 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 25.8 t -56.04 -49.47 73.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 39' ' ' ILE . 2.8 mptp? -54.63 -39.99 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 1.2 m -95.6 18.04 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' CYS . 3.7 mt-10 37.75 42.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.3 m-30 -90.18 -170.93 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -118.44 109.72 39.98 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 -48.55 67.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.72 59.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.725 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.03 135.24 55.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -109.32 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD12 ' CD2' ' A' ' 65' ' ' LEU . 95.0 mt -132.72 98.11 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.9 164.28 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' CD ' ' CD2' ' A' ' 63' ' ' LEU . 7.0 mmmt -55.78 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.93 -176.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -64.35 -23.51 67.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -131.83 86.45 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.71 -46.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 69.68 26.08 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -116.09 113.21 41.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.577 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.01 146.92 33.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.419 ' CD2' ' CD ' ' A' ' 55' ' ' LYS . 3.3 mt -92.52 171.19 9.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.12 100.79 11.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.686 ' CD2' HD12 ' A' ' 53' ' ' LEU . 5.6 mt -44.93 -53.72 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.3 p -41.45 -32.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -86.81 153.3 21.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -106.67 174.83 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.0 mm? -59.65 -31.85 69.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.66 -49.8 56.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -61.06 -53.26 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.99 -40.85 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.42 33.1 36.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.9 mt -114.16 163.1 15.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.14 1.64 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 19.0 pm0 -151.64 156.35 40.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.78 170.4 21.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.432 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 86.8 t80 -122.19 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.5 111.02 23.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.581 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.7 ttp -98.12 140.23 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.3 m -113.5 153.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 24.7 ptt85 -84.07 121.1 26.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 13.8 t -118.7 147.16 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.002 HG22 HD11 ' A' ' 24' ' ' ILE . 43.7 t -92.74 129.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.535 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.6 mm -113.93 96.08 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -84.79 124.47 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 18.4 p90 -143.72 154.62 43.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER 71.27 6.66 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' C ' HG23 ' A' ' 20' ' ' THR . 3.6 mtmp? 53.42 29.57 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.5 HG23 ' C ' ' A' ' 19' ' ' LYS . 36.4 p -156.79 -54.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.43 157.59 18.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.2 151.12 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -137.63 152.64 49.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.002 HD11 HG22 ' A' ' 14' ' ' VAL . 22.0 mm -106.03 151.18 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG12 ' HD2' ' A' ' 43' ' ' LYS . 25.8 m -150.71 153.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.36 108.11 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -130.29 177.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.35 129.57 50.92 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -85.63 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.644 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.71 155.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 m -84.93 158.99 20.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 38.0 mt -56.01 -38.3 70.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -36.38 23.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.84 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.6 mt-10 -87.6 -23.67 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 40' ' ' ILE . 67.5 mt -95.67 10.46 36.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -72.06 -50.06 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -43.61 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.63 -26.67 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.535 ' CG2' HD12 ' A' ' 15' ' ' ILE . 52.6 mt -90.81 -59.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.71 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.63 -47.39 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 33.0 t -56.29 -41.39 75.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HG12 ' A' ' 25' ' ' VAL . 15.9 mmtt -60.39 -37.82 82.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.4 15.27 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' CYS . 21.5 mt-10 44.89 43.39 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -96.35 177.8 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.88 106.58 53.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -1.29 11.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 50' ' ' HIS . 0.4 OUTLIER -66.13 -48.71 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -129.55 60.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.57 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.71 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -120.97 138.13 54.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -112.73 169.82 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.826 HD12 ' CD2' ' A' ' 65' ' ' LEU . 80.8 mt -129.35 96.8 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.6 mm? -90.94 161.59 15.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD2' HD21 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -51.99 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.09 168.47 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.98 -40.02 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -101.67 73.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -171.01 152.56 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -122.04 23.98 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.32 115.37 63.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 142.66 27.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.583 HD21 ' HD2' ' A' ' 55' ' ' LYS . 15.6 mt -89.46 157.68 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -89.63 100.58 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.826 ' CD2' HD12 ' A' ' 53' ' ' LEU . 45.2 mt -41.45 -56.5 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 66' ' ' THR . 81.6 p -41.5 -37.42 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 4.1 mmpt? -72.79 151.65 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -106.95 161.72 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.16 -28.94 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -57.08 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -51.81 -42.18 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -73.69 -51.44 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.34 35.21 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.6 mt -121.37 156.55 32.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 1.3 tpt180 -117.82 -6.69 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -138.25 150.38 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.59 170.38 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -121.53 142.79 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.6 111.14 23.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.545 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.1 tpp -97.55 136.86 37.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.529 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.0 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.37 161.02 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.0 ptp180 -86.49 115.91 24.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 75' ' ' ARG . 76.9 t -118.99 130.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.894 HG22 HG12 ' A' ' 24' ' ' ILE . 83.6 t -89.62 134.99 27.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -112.81 107.64 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.15 116.3 22.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.1 p90 -144.76 163.67 33.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.794 ' O ' HG22 ' A' ' 20' ' ' THR . 0.3 OUTLIER 72.45 5.17 5.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.639 ' C ' HG22 ' A' ' 20' ' ' THR . 15.8 mttt 57.11 43.09 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.78 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.6 mt-30 -80.22 151.95 29.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.65 156.19 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.425 HG21 ' SG ' ' A' ' 44' ' ' CYS . 12.6 t -149.16 139.12 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.894 HG12 HG22 ' A' ' 14' ' ' VAL . 3.6 mt -100.25 147.74 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.52 153.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.48 107.78 18.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.529 ' C ' HG22 ' A' ' 10' ' ' THR . 6.0 m -137.85 179.12 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -84.32 127.01 67.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.93 20.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -77.51 -63.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.82 148.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.6 150.21 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' ALA . 30.5 mt -49.14 -32.81 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -54.4 -35.09 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.72 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.4 mp0 -90.45 -24.23 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD23 HD13 ' A' ' 39' ' ' ILE . 63.2 mt -95.45 10.3 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.56 -50.16 47.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -42.52 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.33 -28.48 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -88.41 -58.54 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.832 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -51.32 -49.0 62.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 10.1 t -56.7 -41.29 77.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -59.89 -37.33 79.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.07 20.37 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 40.56 45.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.1 m-30 -98.86 -174.28 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.41 113.79 36.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HA ' ' HB ' ' A' ' 51' ' ' THR . 18.4 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -49.7 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.832 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.4 m -121.58 130.87 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.25 171.52 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' CD2' ' A' ' 65' ' ' LEU . 56.2 mt -128.26 96.82 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 60' ' ' GLN . 1.2 mm? -93.83 151.57 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.555 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -54.65 -57.27 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.28 171.11 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD2' ' HE2' ' A' ' 19' ' ' LYS . 5.2 t80 -68.92 -14.66 63.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -105.18 -15.63 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 6.3 m -93.09 -49.99 5.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.915 ' O ' HD12 ' A' ' 54' ' ' LEU . 38.3 mm-40 77.96 -53.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -38.38 129.55 1.06 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.03 162.05 37.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -97.97 176.06 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 115.06 29.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.548 ' CD2' HD12 ' A' ' 53' ' ' LEU . 19.2 mt -61.92 -45.58 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -52.39 -27.96 17.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -89.64 172.36 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -121.98 176.3 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 69' ' ' LEU . 1.7 mm? -61.93 -31.09 71.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.89 -51.07 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.27 79.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mt -69.71 -68.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.29 30.99 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.7 mt -118.58 155.6 30.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -103.09 -25.4 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -129.43 168.82 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.75 169.02 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -119.05 134.9 54.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.75 120.64 42.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.639 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.9 tpp -105.62 143.77 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.452 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.49 152.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.73 106.01 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -103.25 140.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.119 HG22 HD11 ' A' ' 24' ' ' ILE . 60.7 t -95.04 134.11 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.458 ' HB ' HG22 ' A' ' 23' ' ' THR . 15.2 mm -118.42 94.25 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' ND2' ' OE2' ' A' ' 76' ' ' GLU . 62.1 m-80 -85.88 122.43 29.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.4 p90 -144.58 169.85 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 20' ' ' THR . 14.6 mttt 71.71 6.5 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.604 ' C ' HG22 ' A' ' 20' ' ' THR . 3.6 mttt 58.67 40.53 23.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER 175.47 -48.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.9 mm-40 -78.34 154.06 31.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -151.82 150.22 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.458 HG22 ' HB ' ' A' ' 15' ' ' ILE . 9.5 t -135.39 157.79 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.119 HD11 HG22 ' A' ' 14' ' ' VAL . 27.5 mm -114.37 136.17 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.41 HG12 ' HD2' ' A' ' 43' ' ' LYS . 19.9 m -143.8 150.07 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.503 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -97.09 131.23 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.514 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -156.34 172.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.529 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -85.24 132.7 44.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -17.13 19.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -74.82 -55.34 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.72 144.42 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.36 146.04 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 25.0 mt -46.34 -31.56 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -54.63 -35.0 62.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.735 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.6 mm-40 -90.93 -23.61 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 28' ' ' SER . 86.0 mt -95.49 10.27 37.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -68.41 -49.95 29.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.0 -43.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.68 -27.42 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.421 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.6 mt -89.79 -61.53 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.636 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -49.83 -48.7 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.272 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 23.2 t -53.57 -46.14 70.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HD2' HG12 ' A' ' 25' ' ' VAL . 18.0 mmtt -54.84 -38.82 67.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.591 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.66 20.81 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 39.29 36.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -85.59 174.14 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.44 107.45 53.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.42 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.43 -49.51 66.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.18 60.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.636 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -120.92 145.62 47.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 52' ' ' LEU . 9.9 mt -120.88 168.75 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.823 HD12 ' CD2' ' A' ' 65' ' ' LEU . 85.8 mt -126.69 103.01 7.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.62 164.18 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -54.88 -52.02 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.04 -156.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.94 -20.53 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.93 83.51 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.221 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -177.75 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 72.64 3.88 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.07 117.35 68.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.585 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.06 146.78 32.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -99.12 173.58 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 119.16 38.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.823 ' CD2' HD12 ' A' ' 53' ' ' LEU . 19.3 mt -61.73 -42.74 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -51.64 -21.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -94.6 168.09 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 p -123.99 171.89 9.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -57.65 -31.13 65.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -70.66 -48.69 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.77 -48.6 81.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.92 -48.86 64.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.9 29.49 28.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.0 mt -114.14 164.36 13.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 8.46 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE2' ' ND2' ' A' ' 16' ' ' ASN . 32.6 tt0 -144.8 144.58 31.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -155.45 170.57 21.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -126.42 152.71 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.77 113.84 22.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.8 ttm -106.38 122.61 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.27 120.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -43.86 -59.03 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.01 94.76 1.39 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -85.38 118.43 24.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.35 143.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.18 60.07 0.68 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -113.0 -174.36 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 mttp 51.94 58.91 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -119.89 149.14 42.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m -109.34 157.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -89.24 110.57 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -108.54 149.31 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 9.4 t -99.55 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.3 mm -108.7 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -81.79 127.04 32.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 41.1 p90 -144.51 152.88 41.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 14.0 9.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 9.8 mttp 44.0 30.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -151.72 -52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 46.3 mt-30 -94.74 153.52 17.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.53 152.75 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -139.96 162.44 35.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.441 HG12 HG22 ' A' ' 14' ' ' VAL . 3.5 mt -118.47 141.9 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.99 155.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 108.58 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.554 HG11 ' CG2' ' A' ' 39' ' ' ILE . 8.1 m -139.56 170.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.519 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -75.06 129.8 82.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.66 20.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -70.26 -61.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.14 140.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.8 151.14 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 52.8 mt -50.86 -29.68 12.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -56.93 -34.7 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.743 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.5 mm-40 -92.66 -24.69 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' O ' ' A' ' 28' ' ' SER . 92.4 mt -94.9 10.14 36.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.733 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.18 -50.85 38.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.64 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -54.75 -30.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.48 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.6 mt -88.46 -63.24 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.788 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.4 m -45.82 -46.53 15.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 68.0 m -55.02 -46.09 75.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -57.23 -29.73 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -109.96 22.21 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 39.16 34.28 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -86.18 168.57 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 1.5 t70 -100.84 109.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.21 10.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.62 -37.17 68.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 5.6 m-70 -138.93 57.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.788 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.1 142.21 50.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.5 mt -115.98 159.65 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 84.3 mt -122.16 97.26 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.625 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.6 mm? -90.31 163.52 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.707 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.7 mmmm -51.72 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.49 170.67 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -44.88 -41.81 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -70.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.42 156.01 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 54' ' ' LEU . 13.5 mt-30 -126.33 10.74 7.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -76.71 135.36 68.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.0 144.64 30.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.707 HD21 ' HA ' ' A' ' 55' ' ' LYS . 4.3 mt -94.06 170.46 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.03 116.7 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.6 -57.29 10.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.9 p -40.11 -35.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -82.71 142.59 31.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.0 174.79 5.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -49.39 -32.44 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.17 -58.91 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.18 -40.4 67.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -71.89 -58.9 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.16 34.62 5.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -123.59 160.08 27.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.22 -12.86 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -138.55 153.97 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.35 170.26 19.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 78.8 t80 -122.18 140.52 52.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.88 111.26 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.493 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.5 ttp -96.75 144.32 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.56 106.68 17.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.651 HG23 ' N ' ' A' ' 83' ' ' ASN . 14.8 m -112.92 -139.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.651 ' N ' HG23 ' A' ' 82' ' ' VAL . 1.6 t30 -179.12 93.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.29 118.44 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -150.18 89.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.3 p -168.27 128.38 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.59 156.34 7.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.73 43.08 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -150.43 113.95 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.13 151.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.7 132.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 m -131.72 -58.48 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.36 134.99 12.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -166.03 81.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -121.8 105.06 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.93 -61.4 0.55 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.52 154.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -147.37 56.73 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.1 p -85.91 150.16 24.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.06 165.23 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 -91.13 110.86 22.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.23 145.47 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.066 HG22 HD11 ' A' ' 24' ' ' ILE . 19.9 t -96.9 135.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.512 HD12 ' CG2' ' A' ' 40' ' ' ILE . 8.1 mm -124.96 95.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -85.37 125.0 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.3 p90 -144.48 168.61 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 72.26 6.96 5.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.692 ' C ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 58.91 44.71 16.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 170.29 -48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 36.7 mt-30 -79.93 159.14 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -151.78 150.26 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.488 HG21 ' SG ' ' A' ' 44' ' ' CYS . 12.6 t -133.72 144.54 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.066 HD11 HG22 ' A' ' 14' ' ' VAL . 31.1 mm -103.34 139.09 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 m -141.52 152.3 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.04 111.24 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -132.86 179.35 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.14 31.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.1 19.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.21 -63.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.598 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.65 150.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.53 149.84 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 31.9 mt -48.05 -27.09 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.56 -34.32 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.736 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.6 mm-40 -94.05 -20.12 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 mt -94.61 0.24 55.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -57.02 -50.04 90.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.538 1.81 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.4 mt -57.47 -27.34 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.512 ' CG2' HD12 ' A' ' 15' ' ' ILE . 48.4 mt -88.66 -61.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.707 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.29 -49.48 53.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 20.6 t -53.86 -43.7 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -58.05 -39.66 78.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.88 18.6 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 42.94 42.0 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.3 m-30 -97.68 176.03 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.79 115.34 59.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.36 11.11 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.81 -49.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.627 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.707 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.9 m -120.96 135.18 55.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.513 HD12 HG11 ' A' ' 82' ' ' VAL . 4.2 mt -116.39 158.71 23.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.963 HD12 ' CD2' ' A' ' 65' ' ' LEU . 80.1 mt -122.13 102.61 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.763 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -99.32 166.8 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.515 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -54.24 -53.32 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -161.08 177.91 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -58.24 -39.92 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -65.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 m -54.18 168.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -138.53 21.78 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -92.96 128.48 43.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.589 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.98 138.01 22.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.619 HD11 ' O ' ' A' ' 54' ' ' LEU . 1.4 mt -88.97 167.21 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.24 103.55 15.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.963 ' CD2' HD12 ' A' ' 53' ' ' LEU . 17.0 mt -49.21 -45.42 44.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.6 p -43.06 -43.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -71.85 164.21 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -114.3 169.32 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.3 mm? -56.71 -31.01 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -73.21 -53.68 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.17 -47.4 78.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.3 -55.5 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.06 20.18 28.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.2 mt -104.25 143.83 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 18.7 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 2.9 pm0 -164.21 159.17 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.71 168.94 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -122.75 144.44 49.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.28 112.13 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.4 ttm -98.89 143.0 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.52 99.3 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.657 HG23 ' N ' ' A' ' 83' ' ' ASN . 15.7 m -102.06 -138.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.657 ' N ' HG23 ' A' ' 82' ' ' VAL . 0.6 OUTLIER -135.58 -59.71 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -176.21 120.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -109.3 158.59 17.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.5 t -142.45 111.34 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.02 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.92 157.42 17.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 77.53 3.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -124.18 132.53 53.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.22 140.63 48.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.82 142.12 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -174.38 128.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.9 68.0 1.9 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -83.76 118.95 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -151.55 137.24 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.06 126.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.62 156.89 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -134.62 115.1 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.448 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.7 p -98.98 150.44 21.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.79 154.9 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 18.7 ptt180 -82.85 113.54 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -106.82 143.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 24' ' ' ILE . 79.1 t -89.91 104.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.544 ' HB ' HG23 ' A' ' 23' ' ' THR . 14.9 mm -90.97 103.21 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -89.97 123.66 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.596 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.0 p90 -144.74 171.86 13.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.78 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 71.38 6.34 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' C ' HG22 ' A' ' 20' ' ' THR . 7.9 mttt 60.66 32.14 20.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -178.52 -47.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -76.69 161.74 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -149.96 152.46 35.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.544 HG23 ' HB ' ' A' ' 15' ' ' ILE . 4.1 t -140.67 147.56 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.445 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.861 HD11 HG22 ' A' ' 14' ' ' VAL . 15.4 mm -100.96 140.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.0 m -142.27 153.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.6 109.04 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.457 HG12 HG21 ' A' ' 39' ' ' ILE . 1.3 m -134.38 172.96 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.07 129.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.89 16.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -86.43 -62.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.05 155.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.35 147.92 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 19.5 mt -50.56 -29.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -55.82 -34.95 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.77 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.0 mm-40 -90.5 -22.69 21.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.424 HD22 ' HB ' ' A' ' 27' ' ' VAL . 54.0 mt -94.84 9.83 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.747 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.79 -51.01 31.51 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.03 -43.71 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -55.75 -26.0 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.489 ' CG2' HD12 ' A' ' 15' ' ' ILE . 57.4 mt -92.36 -62.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.735 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -48.6 -45.23 37.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 66.6 m -54.27 -43.92 71.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.949 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -57.66 -39.19 76.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -98.11 17.05 19.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 44.94 48.61 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 8.2 m-30 -103.4 -175.47 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 0.3 OUTLIER -114.95 108.49 48.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.81 10.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.74 -36.51 73.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.438 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 5.3 m-70 -139.38 58.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.735 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.5 m -120.97 141.71 50.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.4 mt -113.56 158.34 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.874 HD12 HD23 ' A' ' 65' ' ' LEU . 80.7 mt -121.72 98.89 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -95.23 164.68 12.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -56.17 -62.87 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -147.22 179.66 7.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.36 -49.63 69.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -68.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 149.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -121.74 20.41 10.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.01 118.58 70.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.612 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.95 132.25 15.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.4 mt -80.0 159.62 26.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.19 113.02 25.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.874 HD23 HD12 ' A' ' 53' ' ' LEU . 11.2 mt -57.66 -44.2 85.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -20.49 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -93.91 165.84 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.1 171.25 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.6 mm? -54.64 -32.35 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -69.74 -57.49 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.01 -57.44 10.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.73 -57.21 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.76 28.38 9.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 69' ' ' LEU . 68.1 mt -108.69 147.94 31.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.61 -6.49 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -146.01 150.47 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.74 170.36 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.438 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 73.7 t80 -120.51 146.71 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.61 111.47 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.522 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.3 tpp -95.68 138.98 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.03 99.93 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 m -87.02 -34.53 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.0 t30 45.8 88.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 70.81 125.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.96 78.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.17 91.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.95 168.11 52.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.72 8.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 91' ' ' GLY . 3.1 m -144.79 -54.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m 69.45 -64.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' SER . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -68.74 115.88 8.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m -123.95 -58.4 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.99 122.6 7.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -71.39 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.96 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t 60.15 102.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.87 -177.79 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -113.07 -59.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt 46.51 56.07 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p -114.33 150.38 34.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.7 m -107.87 165.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -91.26 123.86 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -124.63 137.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.978 HG22 HD11 ' A' ' 24' ' ' ILE . 58.2 t -92.91 121.42 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.521 HD12 ' CG2' ' A' ' 40' ' ' ILE . 23.6 mm -103.78 94.1 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -85.54 125.76 33.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -143.66 156.56 44.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.54 9.34 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' O ' HG23 ' A' ' 20' ' ' THR . 12.5 mtmm 46.02 34.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 19' ' ' LYS . 16.0 p -156.49 -45.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.63 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 152.46 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 15' ' ' ILE . 15.3 t -131.99 159.61 38.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.397 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.978 HD11 HG22 ' A' ' 14' ' ' VAL . 19.6 mm -113.21 140.37 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG12 ' HD2' ' A' ' 43' ' ' LYS . 26.8 m -142.37 154.37 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.18 111.01 22.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.98 170.66 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.543 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -81.77 135.69 48.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.021 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.94 -22.49 14.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -66.79 -61.44 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.638 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.74 145.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p -82.08 148.36 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 46.9 mt -47.93 -31.34 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -56.27 -34.16 66.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.848 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.5 mm-40 -91.72 -22.43 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD11 ' O ' ' A' ' 28' ' ' SER . 87.5 mt -95.8 10.27 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -72.02 -49.76 9.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.0 Cg_endo -75.08 -42.83 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.18 -28.65 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.521 ' CG2' HD12 ' A' ' 15' ' ' ILE . 49.8 mt -88.79 -55.09 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.623 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -53.17 -49.19 67.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -56.27 -40.77 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HD2' HG12 ' A' ' 25' ' ' VAL . 20.7 mmtt -58.79 -40.95 85.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.3 17.44 18.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 43.23 44.95 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -96.31 -175.72 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.29 110.51 47.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.72 10.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.56 -43.23 81.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.02 59.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.623 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.8 m -121.17 135.01 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD12 HG11 ' A' ' 82' ' ' VAL . 5.3 mt -111.67 166.13 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 ' CD2' ' A' ' 65' ' ' LEU . 76.9 mt -125.8 98.4 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.794 ' O ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -90.57 164.89 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.873 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.4 mmmm -53.1 -56.24 17.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -164.57 -176.44 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.3 -45.29 84.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.99 167.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -137.98 16.35 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -84.3 135.64 41.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.5 Cg_endo -74.96 140.52 25.65 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' A' ' 55' ' ' LYS . 3.5 mt -91.24 162.48 14.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.58 104.8 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.746 ' CD2' HD12 ' A' ' 53' ' ' LEU . 71.5 mt -43.53 -53.58 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -40.88 -39.67 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.08 138.72 39.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 p -101.36 173.22 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.6 mm? -53.0 -29.87 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -73.59 -54.71 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.9 -49.72 76.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.4 -51.68 61.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.44 18.64 56.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 69' ' ' LEU . 52.4 mt -109.24 145.96 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -110.3 -10.76 14.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -122.47 151.53 41.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.76 170.37 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -133.35 144.76 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.25 112.96 26.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 ttm -97.19 141.75 29.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.79 117.02 29.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 83' ' ' ASN . 18.1 m -119.51 -145.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.493 ' N ' HG23 ' A' ' 82' ' ' VAL . 7.4 t-20 -162.2 104.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.06 113.92 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -88.16 -60.75 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.45 157.79 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.026 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.68 -168.58 25.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 150.24 38.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.97 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -108.29 39.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 41.48 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m 59.87 167.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.21 92.79 0.2 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -101.66 -58.99 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.53 -56.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.97 -169.09 13.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -175.98 -60.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt 59.04 110.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -109.18 152.56 24.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.6 m -112.97 159.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -87.6 121.1 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 15.0 t -121.1 145.18 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.079 HG22 HD11 ' A' ' 24' ' ' ILE . 38.2 t -95.29 130.51 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.525 HD12 ' CG2' ' A' ' 40' ' ' ILE . 13.0 mm -116.32 94.11 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 19.4 p90 -144.47 167.85 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.739 ' O ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER 71.96 7.2 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.634 ' C ' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER 59.47 41.14 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 173.46 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.59 155.67 31.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 150.12 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.506 HG22 ' HB ' ' A' ' 15' ' ' ILE . 14.3 t -136.44 142.23 43.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.079 HD11 HG22 ' A' ' 14' ' ' VAL . 31.0 mm -100.46 146.19 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.43 154.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.16 108.64 19.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -127.54 -175.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.545 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -97.44 132.11 25.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.05 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -78.46 -59.13 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.95 149.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -83.58 154.93 23.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 51.6 mt -52.77 -34.79 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -53.18 -35.3 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.815 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.2 mm-40 -90.21 -23.32 21.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD11 ' O ' ' A' ' 28' ' ' SER . 93.5 mt -95.87 10.38 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.55 -49.67 11.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.03 -42.63 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.61 -28.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.525 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.8 mt -88.45 -60.4 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.512 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -50.62 -48.75 57.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 65.3 m -53.49 -44.9 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.51 -40.73 75.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.39 20.66 13.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 39.74 47.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.21 173.4 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -105.48 111.55 64.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.31 -49.87 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -129.21 60.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.512 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.7 m -121.06 137.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.1 mt -111.85 159.24 18.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 82.1 mt -120.79 101.59 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.795 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -102.72 161.55 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HD2' ' CB ' ' A' ' 61' ' ' GLU . 24.6 mtpt -55.04 -62.03 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.19 169.71 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.366 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.466 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 1.9 t80 -52.5 -36.25 54.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.24 158.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -128.6 13.28 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . 4.1 mt-10 -78.91 122.26 84.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.464 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.06 138.19 22.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.39 151.87 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -90.53 109.41 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 p -39.16 -33.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ASP . 3.3 mmpt? -84.01 138.8 32.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -99.46 -177.43 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 74' ' ' LEU . 1.7 mm? -61.43 -32.02 71.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.1 -48.87 40.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.19 -45.39 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.43 -70.87 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.6 9.62 11.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 69' ' ' LEU . 78.8 mt -104.32 151.31 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 2.5 tpt180 -110.77 -10.46 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -129.72 151.66 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.85 167.58 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.407 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 75.9 t80 -125.25 146.79 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.65 111.25 23.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 ttm -103.05 136.87 42.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -92.75 111.06 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.41 HG12 ' NH1' ' A' ' 84' ' ' ARG . 6.8 m -101.37 79.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -106.97 89.49 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' NH1' HG12 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -117.47 -53.0 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.71 173.74 10.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -125.75 -61.62 1.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.48 156.13 9.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 58.9 5.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.808 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.67 89.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.9 p -137.46 119.34 15.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.093 . . . . 0.0 111.042 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.19 170.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.79 161.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.39 -140.76 13.67 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 119.42 34.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -95.95 146.6 24.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.69 149.8 15.42 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -154.98 -66.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -136.39 55.35 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.8 p -129.88 152.14 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.58 156.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ptt-85 -84.55 124.11 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -119.77 143.3 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.913 HG22 HD11 ' A' ' 24' ' ' ILE . 37.7 t -89.97 112.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.693 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.0 mm -95.28 99.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -90.26 124.65 35.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 28.5 p90 -144.51 157.33 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 64.94 12.87 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 20' ' ' THR . 33.4 mtmt 44.77 31.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 19' ' ' LYS . 16.1 p -154.79 -50.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 68.1 mt-30 -94.3 154.53 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -151.17 149.97 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -137.13 158.42 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.913 HD11 HG22 ' A' ' 14' ' ' VAL . 21.9 mm -109.19 138.38 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG12 ' HG2' ' A' ' 43' ' ' LYS . 22.5 m -138.37 152.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 114.7 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.508 ' HB ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -139.25 176.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -84.53 128.49 61.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -85.16 -63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.614 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.41 156.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.68 148.92 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.506 ' CD2' HD21 ' A' ' 69' ' ' LEU . 52.4 mt -50.09 -30.42 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.86 -34.64 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.884 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -92.18 -21.98 20.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 40' ' ' ILE . 53.3 mt -96.44 10.37 38.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -75.57 -50.1 3.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -44.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.59 -24.62 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.693 ' CG2' HD12 ' A' ' 15' ' ' ILE . 57.4 mt -93.48 -53.3 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -54.22 -39.51 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.302 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -44.02 80.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -58.79 -40.77 84.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.501 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -94.69 15.21 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 108.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 42.35 39.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -89.83 -172.45 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -121.11 112.97 32.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -64.19 -49.79 70.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.27 59.88 1.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.627 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.498 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.8 m -121.15 139.59 53.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -111.07 169.31 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.91 HD12 HD23 ' A' ' 65' ' ' LEU . 83.4 mt -129.68 96.89 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.3 mm? -93.63 158.93 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.51 ' CD ' HD21 ' A' ' 63' ' ' LEU . 5.5 mmmt -51.28 -57.19 9.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -158.38 -161.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -84.66 -37.43 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.63 -25.67 63.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -99.55 168.61 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -136.04 10.19 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -83.08 130.38 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.646 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.01 157.39 42.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.51 HD21 ' CD ' ' A' ' 55' ' ' LYS . 6.3 mt -107.95 167.05 10.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.34 105.67 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.91 HD23 HD12 ' A' ' 53' ' ' LEU . 12.4 mt -46.87 -50.88 17.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.2 p -40.08 -38.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 150.31 34.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -103.75 168.13 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD21 ' CD2' ' A' ' 33' ' ' LEU . 2.5 mm? -54.4 -30.37 51.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -73.46 -56.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -53.44 -40.01 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.9 mt -76.62 -61.56 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 97.39 39.46 3.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.8 141.78 47.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -3.49 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 3.5 pm0 -150.34 150.31 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.405 HD13 HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -150.13 170.46 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -124.35 143.21 50.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.73 111.02 23.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.465 ' HB2' HD23 ' A' ' 54' ' ' LEU . 5.1 ttp -99.97 152.18 20.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -113.14 116.21 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.65 -22.55 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 42.4 77.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.64 97.83 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.16 103.87 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.4 t -127.49 171.52 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.43 156.35 9.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.4 p 174.09 149.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t 45.45 91.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.98 142.02 31.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -109.33 82.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.67 123.41 1.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 m -99.62 135.83 40.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.966 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -93.48 145.83 24.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.21 -100.97 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.47 160.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -160.39 118.85 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.426 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.0 p -140.66 149.81 42.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.408 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 29.4 m -109.64 153.6 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 20.6 ptt180 -82.04 119.62 24.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.22 143.94 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.916 HG22 HD11 ' A' ' 24' ' ' ILE . 65.3 t -91.96 109.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.677 HD12 ' CG2' ' A' ' 40' ' ' ILE . 21.2 mm -93.08 96.54 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -86.72 124.41 32.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 50.5 p90 -144.6 158.85 43.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mttm 67.41 10.3 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 20' ' ' THR . 6.0 mtmt 49.97 29.87 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 19' ' ' LYS . 13.6 p -157.95 -53.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 66.4 mt-30 -86.89 157.19 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -151.72 150.37 30.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -137.38 143.46 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.916 HD11 HG22 ' A' ' 14' ' ' VAL . 15.0 mm -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG12 ' HG2' ' A' ' 43' ' ' LYS . 22.0 m -137.67 152.59 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.8 106.75 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.426 ' C ' HG22 ' A' ' 10' ' ' THR . 4.6 m -133.97 171.53 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -82.35 133.0 51.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.98 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.68 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.36 147.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.09 150.77 30.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.9 mt -51.23 -32.85 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.61 -34.4 50.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.803 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.4 mm-40 -92.7 -23.05 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 28' ' ' SER . 60.3 mt -95.46 10.55 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.0 -50.42 16.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.803 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.0 mt -54.92 -30.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.677 ' CG2' HD12 ' A' ' 15' ' ' ILE . 51.4 mt -88.83 -55.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.631 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.2 m -49.99 -45.74 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 t -52.84 -49.74 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HG2' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -53.89 -40.13 66.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -97.04 20.13 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 108.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 38.58 35.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -88.46 174.67 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.87 112.44 63.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.0 -49.51 67.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.56 59.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.631 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -121.2 137.02 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.447 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.6 mt -111.8 163.82 13.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.995 HD12 ' CD2' ' A' ' 65' ' ' LEU . 82.8 mt -123.29 98.17 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.694 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.1 mm? -97.12 166.88 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HD3' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -58.13 -65.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.34 -177.83 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.93 -17.24 22.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.73 86.32 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 8.4 m -168.76 -48.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 64.74 16.18 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.47 119.12 52.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.628 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -75.01 147.25 33.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.467 ' CD2' ' HD3' ' A' ' 55' ' ' LYS . 4.1 mt -92.57 175.1 6.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.9 100.21 9.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.995 ' CD2' HD12 ' A' ' 53' ' ' LEU . 32.0 mt -47.69 -48.88 29.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 66' ' ' THR . 70.1 p -46.07 -33.48 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.9 172.93 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -125.13 165.38 18.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.8 mm? -52.3 -30.53 28.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.07 -52.49 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.04 -51.94 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.177 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.6 mt -65.85 -47.57 74.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.73 11.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.16 151.21 33.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' NH1' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -108.82 -17.72 13.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 24.6 pm0 -136.69 158.41 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.93 169.55 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -121.69 143.18 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.21 111.15 23.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 51' ' ' THR . 1.8 ttp -94.75 141.17 28.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.23 107.91 20.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.653 HG23 ' N ' ' A' ' 83' ' ' ASN . 14.1 m -111.16 -139.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.653 ' N ' HG23 ' A' ' 82' ' ' VAL . 30.8 m-20 -150.03 -56.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 59.87 109.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.42 -81.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -129.34 -62.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.15 -173.32 16.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 123.95 8.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.1 m -109.49 -60.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -154.46 80.74 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -127.49 120.56 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -112.88 121.61 45.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.37 131.03 4.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.71 -59.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.985 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.14 172.0 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.39 122.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.118 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.11 99.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.68 109.34 12.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.1 p -92.57 147.55 22.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.2 m -107.37 164.5 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.65 110.11 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 69.0 t -114.0 137.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.709 HG22 ' CG1' ' A' ' 24' ' ' ILE . 69.1 t -91.4 146.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.438 HD12 ' CG2' ' A' ' 40' ' ' ILE . 13.8 mm -128.47 94.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 40.9 m-80 -83.36 118.65 23.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 23.8 p90 -144.5 168.86 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.787 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER 72.0 6.32 5.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.64 ' C ' HG22 ' A' ' 20' ' ' THR . 2.2 mtmt 57.3 43.73 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.32 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -80.68 150.06 29.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.24 154.73 36.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t -152.8 151.38 30.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.709 ' CG1' HG22 ' A' ' 14' ' ' VAL . 2.0 mt -105.95 145.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 155.02 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -103.65 110.14 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 10' ' ' THR . 2.5 m -138.62 176.7 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -86.45 132.22 43.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.02 -25.09 12.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -62.99 -54.31 40.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.61 148.16 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.17 152.67 22.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 39.3 mt -51.31 -28.12 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -58.57 -37.74 76.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.734 ' O ' HD12 ' A' ' 39' ' ' ILE . 10.1 mm-40 -89.04 -23.23 22.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.532 HD11 ' O ' ' A' ' 28' ' ' SER . 93.0 mt -95.42 10.23 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.66 -50.37 35.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.3 -28.18 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' A' ' 15' ' ' ILE . 51.5 mt -89.34 -62.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.681 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -48.34 -46.32 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 59.3 m -57.29 -45.95 83.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.31 -26.78 65.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -110.57 18.48 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.75 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -100.3 -177.38 3.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.71 112.79 47.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.97 -49.71 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 59.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.681 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -120.98 133.85 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.1 mt -109.48 159.68 16.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.878 HD12 ' CD2' ' A' ' 65' ' ' LEU . 78.7 mt -122.95 103.74 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.742 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -98.54 158.35 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.693 ' HG2' HD21 ' A' ' 63' ' ' LEU . 6.7 mtpt -55.56 -47.8 75.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.94 168.19 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.25 -40.9 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -68.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.7 m -52.97 165.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -135.55 17.14 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 5.9 mt-10 -91.88 134.6 28.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.445 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.99 145.16 31.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.693 HD21 ' HG2' ' A' ' 55' ' ' LYS . 37.5 mt -91.94 148.1 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.47 108.96 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.878 ' CD2' HD12 ' A' ' 53' ' ' LEU . 44.4 mt -54.56 -52.15 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -28.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.84 143.74 27.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 168.94 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.7 mm? -57.76 -33.76 68.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.82 -43.99 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -65.45 -50.1 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.32 -54.17 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.01 28.75 22.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.2 mt -115.78 116.93 28.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.22 9.52 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -145.73 154.52 42.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.45 170.34 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 63.0 t80 -131.74 148.26 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.82 111.28 23.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.8 ttm -105.9 131.5 53.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -99.26 97.61 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.6 m -78.7 -34.97 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.4 t30 40.52 71.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.35 79.21 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.04 -70.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 t -168.15 172.88 8.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.87 113.95 2.3 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 141.87 27.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.38 165.59 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.77 116.86 7.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -159.81 132.07 6.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.946 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.85 160.54 14.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.13 162.44 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.72 159.51 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -163.22 134.76 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.7 134.78 8.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.96 -48.65 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 49.74 58.75 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -93.02 152.12 19.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -112.91 165.96 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -88.42 112.64 23.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.42 139.52 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.955 HG22 HD11 ' A' ' 24' ' ' ILE . 59.5 t -95.73 123.58 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mm -106.19 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -85.31 124.42 31.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 32.8 p90 -143.06 158.53 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 67.73 11.11 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' C ' HG23 ' A' ' 20' ' ' THR . 13.3 mtpt 44.52 30.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 19' ' ' LYS . 16.5 p -153.63 -47.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -99.66 160.26 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.86 156.75 42.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.624 HG21 ' SG ' ' A' ' 44' ' ' CYS . 14.8 t -144.26 141.84 30.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.955 HD11 HG22 ' A' ' 14' ' ' VAL . 4.2 mm -98.69 144.25 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.41 153.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -105.48 107.36 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.517 ' CG1' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -128.27 171.19 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.51 134.57 33.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -10.14 21.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -79.17 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.24 150.6 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.95 150.98 23.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.5 mt -47.35 -33.2 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.72 -35.46 63.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.828 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -90.07 -22.13 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD22 ' CG1' ' A' ' 27' ' ' VAL . 50.1 mt -95.66 10.28 37.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.45 -50.04 11.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -75.03 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.828 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.0 mt -55.09 -32.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' LYS . 60.4 mt -84.48 -65.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.716 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.3 m -45.05 -45.78 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 70.2 m -58.99 -39.49 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ILE . 20.0 mmtt -64.09 -24.38 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.624 ' SG ' HG21 ' A' ' 23' ' ' THR . 0.8 OUTLIER -116.98 20.49 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' CYS . 38.6 mt-10 38.79 41.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.2 m-30 -92.06 165.63 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -97.41 110.43 54.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.36 -15.88 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 50' ' ' HIS . 3.2 p-80 -155.46 53.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.716 HG21 ' SG ' ' A' ' 41' ' ' CYS . 5.8 m -120.07 136.16 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 52' ' ' LEU . 7.4 mt -115.78 167.46 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.749 HD12 ' CD2' ' A' ' 65' ' ' LEU . 76.9 mt -129.56 107.97 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.781 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.14 170.9 7.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 59' ' ' SER . 6.9 mmmt -55.1 -55.75 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.31 -178.41 7.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.408 ' CD1' ' HG2' ' A' ' 19' ' ' LYS . 5.8 t80 -61.13 -23.59 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.97 53.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -150.99 166.08 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -134.62 13.27 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.09 115.67 65.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 128.54 11.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -78.39 159.55 28.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.62 121.7 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.749 ' CD2' HD12 ' A' ' 53' ' ' LEU . 12.2 mt -61.56 -50.36 72.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.6 p -44.04 -33.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.21 151.1 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -100.92 171.74 7.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.3 mm? -58.01 -28.76 64.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -72.55 -55.06 7.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -53.78 -40.64 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.5 mt -76.96 -66.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 99.54 35.97 4.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 69' ' ' LEU . 16.5 mt -125.17 122.49 37.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.91 -6.43 55.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -125.97 151.3 47.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.7 170.35 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.429 ' HD2' HD23 ' A' ' 54' ' ' LEU . 73.8 t80 -131.03 145.08 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.23 111.65 24.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.7 ttm -101.49 141.22 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -100.55 114.32 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.659 HG11 ' OE1' ' A' ' 85' ' ' GLU . 12.9 m -97.0 82.68 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -48.79 -48.74 40.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -142.19 105.86 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.659 ' OE1' HG11 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -125.99 138.59 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.8 m -68.03 100.33 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.953 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.68 158.46 31.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.39 3.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.8 p -138.9 97.25 3.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.75 84.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -72.88 99.44 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.44 136.55 26.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.1 -155.17 7.44 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -176.93 159.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.975 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t 63.53 138.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.14 158.19 16.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -98.06 142.32 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 110.356 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 9.8 mtmt -154.67 56.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -120.73 151.34 39.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -112.03 150.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.5 ptt180 -79.06 113.84 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -108.55 146.96 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 24' ' ' ILE . 56.1 t -93.3 124.81 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.2 mm -113.25 94.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -85.42 124.48 32.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 40.1 p90 -144.52 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 20' ' ' THR . 3.0 mmtt 67.77 9.24 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.709 ' C ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER 58.01 46.07 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 167.88 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -75.05 150.07 39.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 153.3 41.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.443 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.3 t -144.2 150.47 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.052 HD11 HG22 ' A' ' 14' ' ' VAL . 30.8 mm -107.2 142.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 m -144.32 152.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.61 107.93 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.99 164.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.32 133.44 64.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.59 -64.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.15 153.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.7 153.19 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 9.7 mt -50.18 -28.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -58.43 -34.73 71.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.836 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.3 mm-40 -94.31 -20.7 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 40' ' ' ILE . 47.7 mt -96.96 10.27 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.23 -49.72 12.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -74.94 -41.0 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -59.59 -28.23 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.503 ' CG2' HD12 ' A' ' 15' ' ' ILE . 49.7 mt -87.9 -57.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.735 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -53.54 -49.45 67.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.3 t -56.57 -40.48 75.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 19.1 mmtt -58.27 -38.13 76.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.03 18.17 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.256 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 44.39 45.73 7.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -98.58 178.35 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 0.2 OUTLIER -106.2 105.79 55.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -1.1 10.78 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.6 mp -69.71 -34.96 74.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.423 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -140.02 58.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.562 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.735 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.2 m -120.99 137.61 54.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.8 mt -113.21 160.03 18.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.849 HD12 ' CD2' ' A' ' 65' ' ' LEU . 82.9 mt -119.97 97.61 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -96.5 162.51 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.9 mmmm -52.64 -58.73 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -155.74 177.42 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.14 -48.04 74.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -62.68 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -56.42 161.34 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -130.67 11.73 5.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.53 123.92 82.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.551 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.1 Cg_endo -75.06 144.86 30.54 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.515 HD11 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -95.16 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 118.55 31.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.849 ' CD2' HD12 ' A' ' 53' ' ' LEU . 13.4 mt -64.37 -35.37 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -60.82 -14.16 20.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -103.51 147.66 26.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 p -98.68 179.64 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -65.67 -30.1 70.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.75 -49.19 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -59.36 -48.71 80.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 33' ' ' LEU . 25.0 mt -66.23 -52.26 49.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.21 28.78 10.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.25 158.07 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.71 6.33 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -152.01 164.93 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.435 HD11 HD13 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -160.66 170.48 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 89.4 t80 -122.04 142.45 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.98 111.39 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.7 ttm -96.04 141.22 29.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.27 111.74 23.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.99 67.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -93.87 -61.15 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.4 -60.59 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.0 148.64 52.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -105.02 -58.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.32 -175.26 16.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 139.3 24.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.5 t -173.24 99.35 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 t -44.46 123.05 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -109.72 153.48 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -139.17 164.44 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.48 158.44 0.64 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.84 -59.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.747 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.54 90.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 10' ' ' THR . . . -138.27 -91.17 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -169.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mttp 52.89 58.02 5.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 7' ' ' GLY . 3.5 p -101.88 147.08 26.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -105.96 154.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 14.4 ptt180 -85.12 114.06 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.79 141.26 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.031 HG22 HD11 ' A' ' 24' ' ' ILE . 30.7 t -93.28 106.92 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 40' ' ' ILE . 25.9 mm -94.96 100.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -91.51 129.29 37.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 33.2 p90 -144.38 155.02 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 69.98 7.87 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HE2' ' CE2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER 52.29 29.88 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 19' ' ' LYS . 36.0 p -155.9 -49.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 72.3 mt-30 -94.13 154.68 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 153.76 36.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -138.06 146.4 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 14' ' ' VAL . 28.0 mm -100.98 144.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -143.3 153.35 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -112.66 110.88 21.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.57 HG11 HG21 ' A' ' 39' ' ' ILE . 3.1 m -139.66 172.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 130.33 73.24 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.89 21.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -72.19 -63.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.77 143.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -77.97 149.99 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 26.0 mt -49.53 -29.81 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -55.27 -34.97 64.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.787 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.9 mm-40 -91.76 -22.05 20.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.75 7.51 46.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.77 -49.37 38.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -74.98 -43.93 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -55.02 -35.67 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 15' ' ' ILE . 43.8 mt -80.69 -62.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.556 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -46.36 -48.94 18.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 43.5 t -51.75 -54.06 32.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -52.95 -34.93 57.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -100.18 20.36 14.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.338 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' CYS . 5.8 mt-10 38.09 35.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -93.84 163.11 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.06 112.83 62.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -46.91 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.03 58.57 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.554 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.556 HG21 ' SG ' ' A' ' 41' ' ' CYS . 3.8 m -113.23 146.77 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 52' ' ' LEU . 5.6 mt -123.04 160.62 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.528 HD22 HD13 ' A' ' 77' ' ' LEU . 94.3 mt -122.18 104.77 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.779 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -98.83 164.85 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.721 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -52.48 -64.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.3 -173.3 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 3.4 t80 -59.96 -40.11 87.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -73.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -55.75 166.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -135.54 14.23 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 134.13 61.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.02 138.59 23.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.779 HD11 ' O ' ' A' ' 54' ' ' LEU . 3.6 mt -91.04 158.38 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.08 123.87 36.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD23 HD12 ' A' ' 53' ' ' LEU . 15.5 mt -58.46 -57.81 11.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -39.6 -31.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' HG2' HG23 ' A' ' 66' ' ' THR . 0.2 OUTLIER -84.22 142.57 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -110.38 170.8 7.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.5 mm? -49.73 -29.59 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -73.45 -51.27 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -52.0 66.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.61 -52.69 56.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.91 22.44 30.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 69' ' ' LEU . 74.6 mt -106.31 159.52 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -123.89 11.07 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -154.23 152.87 30.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.528 HD13 HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -156.69 169.78 23.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -125.38 147.72 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.95 111.32 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.44 ' SD ' ' CG1' ' A' ' 82' ' ' VAL . 28.6 ttm -100.4 133.36 44.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -92.55 105.29 17.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.663 HG23 ' N ' ' A' ' 83' ' ' ASN . 14.2 m -112.17 -139.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.663 ' N ' HG23 ' A' ' 82' ' ' VAL . 4.3 p-10 -151.15 117.27 5.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.85 93.7 4.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 67.1 -80.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.14 159.56 41.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.5 -145.91 10.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 90.74 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.8 t -150.2 -57.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 p -158.72 -58.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -153.68 98.74 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -45.46 -27.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.59 122.8 5.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -154.2 167.97 28.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.89 92.85 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.21 -128.6 3.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 59.84 154.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.2 110.64 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.2 p -86.84 152.73 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.59 155.67 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 13.9 ptp180 -85.06 115.64 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -107.4 144.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.059 HG22 HD11 ' A' ' 24' ' ' ILE . 71.7 t -94.12 116.48 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.519 HD12 ' CG2' ' A' ' 40' ' ' ILE . 21.4 mm -104.39 99.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.54 123.18 32.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 21.4 p90 -144.44 170.66 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 20' ' ' THR . 7.3 mttt 71.32 6.94 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.602 ' C ' HG22 ' A' ' 20' ' ' THR . 13.4 mttt 58.93 39.47 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 175.04 -46.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.372 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 16.6 mt-30 -78.68 154.49 30.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.85 149.8 31.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.9 t -136.35 163.13 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 HG22 ' A' ' 14' ' ' VAL . 28.7 mm -115.84 145.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG12 ' HD2' ' A' ' 43' ' ' LYS . 23.7 m -146.48 153.21 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -111.91 109.9 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.673 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -135.52 -177.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.436 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -88.64 126.58 59.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -87.19 -48.81 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.19 153.26 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 146.68 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 50.7 mt -47.41 -36.17 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.78 -35.65 32.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.812 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.3 mm-40 -89.77 -22.93 21.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 40' ' ' ILE . 92.2 mt -95.44 10.35 36.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.728 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.06 -50.23 16.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.728 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.812 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -56.26 -31.56 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 77' ' ' LEU . 44.6 mt -85.49 -60.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.51 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -49.39 -52.13 30.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 67.0 m -51.95 -48.78 64.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HD2' HG12 ' A' ' 25' ' ' VAL . 25.5 mmtt -51.55 -39.41 57.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.51 22.99 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 38.9 46.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.0 169.91 8.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.79 114.34 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.19 9.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.02 -49.74 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 60.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.51 HG21 ' SG ' ' A' ' 41' ' ' CYS . 18.1 m -121.08 148.64 43.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.7 mt -124.1 168.26 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.806 HD12 ' CD2' ' A' ' 65' ' ' LEU . 95.3 mt -129.64 100.69 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.797 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -103.75 164.39 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -59.38 -50.77 72.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -155.06 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.87 -35.99 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -70.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -40.45 152.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -123.57 25.33 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.57 118.47 63.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -74.98 137.95 22.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 53' ' ' LEU . 3.1 mt -80.78 158.24 25.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 109.38 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.806 ' CD2' HD12 ' A' ' 53' ' ' LEU . 16.7 mt -56.27 -37.62 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -61.83 -13.31 22.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -99.46 178.9 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 p -130.44 162.8 28.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 74' ' ' LEU . 3.1 mm? -50.01 -31.21 12.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.37 -55.64 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.28 -42.61 66.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.9 -67.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.75 16.47 9.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 69' ' ' LEU . 50.3 mt -103.83 146.25 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.77 -9.35 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -136.37 153.53 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.584 HD13 HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -147.65 168.23 22.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.84 144.91 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.57 111.35 24.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 ttm -98.16 141.99 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.36 110.99 23.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.6 m -102.59 72.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.06 79.17 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.72 90.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 62.16 117.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.5 t -133.83 108.88 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.23 156.73 24.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 171.18 18.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.53 80.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 m -155.9 152.93 28.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.36 -58.4 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -89.58 147.63 23.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.36 63.9 3.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.64 108.73 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -122.84 100.29 6.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.54 126.73 3.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.33 95.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -119.1 58.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.1 p -118.38 150.83 38.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 m -109.02 153.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -81.12 117.97 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -110.44 140.9 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.031 HG22 HD11 ' A' ' 24' ' ' ILE . 16.2 t -94.78 112.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.508 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.7 mm -97.77 108.92 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -95.69 125.02 39.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 35.2 p90 -144.45 155.32 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mttt 69.29 8.29 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' C ' HG23 ' A' ' 20' ' ' THR . 17.0 mttp 51.02 29.49 4.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 19' ' ' LYS . 37.3 p -156.71 -52.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 60.0 mt-30 -89.42 159.53 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.49 153.26 34.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 t -137.79 138.88 39.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 14' ' ' VAL . 27.5 mm -95.79 147.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.7 m -150.05 153.43 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.88 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.512 ' C ' HG22 ' A' ' 10' ' ' THR . 0.3 OUTLIER -135.49 -178.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.54 130.88 47.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.53 20.78 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.25 -64.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.65 148.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.55 149.75 27.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 72' ' ' LEU . 6.5 mt -49.93 -32.88 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.15 -34.76 58.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.767 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.6 mm-40 -90.67 -23.24 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 39' ' ' ILE . 55.9 mt -96.07 10.3 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -68.81 -49.83 25.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.02 -41.03 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.767 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.767 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -58.73 -30.11 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.508 ' CG2' HD12 ' A' ' 15' ' ' ILE . 44.5 mt -86.39 -58.88 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.691 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -51.84 -50.1 61.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -55.09 -39.75 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 26.3 mmtt -62.11 -35.94 80.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.528 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.14 12.7 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 50.92 39.37 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -98.09 179.6 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.02 117.6 43.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.75 -49.79 73.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.73 60.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.634 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.691 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.4 m -120.79 145.64 47.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HA ' HD23 ' A' ' 52' ' ' LEU . 6.3 mt -128.01 160.01 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' A' ' 65' ' ' LEU . 83.7 mt -120.91 101.1 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 62' ' ' PRO . 1.7 mm? -92.15 156.94 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.76 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.4 mmmt -48.37 -67.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -145.85 167.87 22.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.64 -47.34 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.47 -63.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 56' ' ' ASP . 36.7 t -55.12 135.16 49.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.569 ' O ' HD12 ' A' ' 54' ' ' LEU . 3.3 pt20 -99.9 -6.44 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 126.94 92.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.04 168.5 24.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.803 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 55' ' ' LYS . 7.5 mt -108.6 178.59 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.25 108.96 18.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.705 ' CD2' HD12 ' A' ' 53' ' ' LEU . 13.2 mt -60.27 -24.63 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 p -73.27 -10.0 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 mmpp? -103.48 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -125.03 166.13 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.5 mm? -56.27 -28.5 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.78 -46.05 47.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.7 -39.78 91.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 33' ' ' LEU . 25.5 mt -75.11 -52.21 11.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.97 25.52 26.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 69' ' ' LEU . 48.7 mt -112.47 146.44 38.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -112.54 9.74 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -153.61 154.4 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.3 167.02 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -116.2 146.67 42.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.93 111.02 23.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.431 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.7 ttp -97.91 146.22 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.31 108.87 20.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.659 HG23 ' N ' ' A' ' 83' ' ' ASN . 14.4 m -111.61 -139.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.659 ' N ' HG23 ' A' ' 82' ' ' VAL . 7.7 t30 -175.55 96.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -167.1 -67.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -171.47 178.04 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.1 m -86.42 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.91 153.5 24.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.71 3.17 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.59 104.52 15.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.9 p -117.84 88.27 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.09 101.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -161.58 132.47 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.92 93.08 0.12 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -150.83 101.21 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -69.1 155.38 40.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.025 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.2 92.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -79.33 73.74 5.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -111.65 60.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -119.51 156.8 29.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -122.14 154.51 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.4 ptp180 -81.24 115.22 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -108.72 142.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.984 HG22 HD11 ' A' ' 24' ' ' ILE . 48.1 t -91.04 110.62 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.572 HD12 ' CG2' ' A' ' 40' ' ' ILE . 12.5 mm -100.22 97.95 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -87.88 123.55 32.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 23.4 p90 -144.56 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.758 ' O ' HG22 ' A' ' 20' ' ' THR . 0.1 OUTLIER 71.55 7.05 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.655 ' C ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER 58.22 42.59 21.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.63 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -80.44 157.31 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -149.75 150.69 32.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -138.8 148.44 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 14' ' ' VAL . 25.6 mm -102.56 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 m -143.24 154.08 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 107.09 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 39' ' ' ILE . 12.9 m -138.04 168.58 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.537 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -73.82 123.4 89.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -75.05 -56.47 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.578 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.55 146.45 27.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 12.7 mt -46.78 -32.54 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -53.81 -33.87 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.1 mm-40 -92.9 -22.94 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 28' ' ' SER . 67.0 mt -95.75 10.09 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -69.53 -50.66 18.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.421 1.748 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.797 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -55.66 -26.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.572 ' CG2' HD12 ' A' ' 15' ' ' ILE . 60.0 mt -92.71 -62.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.878 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.3 m -47.65 -45.24 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 47.6 t -52.75 -41.03 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -58.12 -44.69 87.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -96.34 16.76 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.0 mt-10 45.83 46.35 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 7.2 m-30 -99.52 170.59 8.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' THR . 22.3 p-10 -98.75 109.77 54.67 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.93 10.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 49' ' ' LEU . 9.3 mt -85.3 -37.49 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.98 42.68 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.878 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.02 140.92 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 52' ' ' LEU . 8.0 mt -113.39 168.01 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.89 HD12 HD23 ' A' ' 65' ' ' LEU . 88.2 mt -124.64 102.94 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.766 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -100.28 158.3 15.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -51.75 -59.2 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.45 -173.91 4.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD2' ' HG3' ' A' ' 58' ' ' GLN . 9.4 t80 -63.05 -24.77 68.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG3' ' CD2' ' A' ' 57' ' ' TYR . 4.4 mt-30 -128.53 83.23 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -155.08 -47.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 64.24 24.5 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.38 115.9 44.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.59 23.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -89.33 -174.59 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.42 105.32 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 53' ' ' LEU . 15.4 mt -51.09 -48.33 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.405 ' H ' HG23 ' A' ' 66' ' ' THR . 64.4 p -44.61 -39.39 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.45 165.32 25.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.48 165.17 13.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.6 mm? -53.85 -35.69 61.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.3 -48.24 57.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.39 -54.35 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.03 -54.02 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.71 25.59 13.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.11 150.96 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.87 17.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 4.8 pm0 -162.15 156.45 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.67 170.56 19.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.433 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 44.3 t80 -124.79 151.28 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.49 114.7 26.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 32.6 ttm -103.48 142.0 35.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -97.32 112.88 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.611 HG23 ' N ' ' A' ' 83' ' ' ASN . 17.2 m -120.38 -140.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.611 ' N ' HG23 ' A' ' 82' ' ' VAL . 3.4 t-20 179.66 129.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -171.51 111.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.49 139.0 32.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.37 122.9 8.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 145.47 152.55 5.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.128 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -59.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.3 p -122.77 168.3 12.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m 62.49 135.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -98.18 119.83 37.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -42.62 148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.06 -172.75 27.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -65.15 -59.22 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.26 97.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.956 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.52 -146.99 3.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.74 145.07 27.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -160.42 109.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -96.37 149.57 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.3 m -110.17 151.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -83.29 109.48 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.0 t -104.08 145.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.015 HG22 HD11 ' A' ' 24' ' ' ILE . 66.0 t -99.18 123.39 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 22.1 mm -108.73 94.2 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -85.73 126.18 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 38.7 p90 -144.62 165.37 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER 69.8 8.53 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' C ' HG22 ' A' ' 20' ' ' THR . 40.7 mttt 60.51 37.74 19.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER 179.76 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -67.85 144.5 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 3.3 pttt -143.93 150.11 37.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 t -137.7 140.19 40.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.015 HD11 HG22 ' A' ' 14' ' ' VAL . 30.4 mm -97.64 141.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 m -144.54 153.84 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -109.25 114.67 28.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.531 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -137.37 -174.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.42 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -94.95 130.84 31.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.41 21.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -73.95 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.66 152.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.98 151.76 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 15.3 mt -51.37 -29.21 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -57.85 -34.36 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.4 mm-40 -92.37 -22.33 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 39' ' ' ILE . 82.4 mt -96.1 10.25 38.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.718 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.54 -49.95 49.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.05 -44.06 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -53.8 -35.7 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.9 mt -82.09 -64.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.717 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.2 m -43.97 -44.69 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 34.9 t -51.15 -57.4 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -36.17 62.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -94.92 17.38 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.2 mt-10 38.44 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -87.52 167.73 13.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.86 112.53 63.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 50' ' ' HIS . 0.4 OUTLIER -65.93 -49.83 66.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -129.19 60.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.717 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -121.06 143.23 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.516 HD12 HG11 ' A' ' 82' ' ' VAL . 3.7 mt -117.19 172.39 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.968 HD12 ' CD2' ' A' ' 65' ' ' LEU . 81.9 mt -132.69 103.35 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.755 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.6 164.23 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.74 -161.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.17 -38.69 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -53.62 55.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 p -83.71 179.81 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.603 ' O ' HD12 ' A' ' 54' ' ' LEU . 26.8 mt-30 -141.27 18.28 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.06 125.5 90.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.562 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.99 143.76 29.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.2 mt -95.01 168.82 10.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.08 107.41 19.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.968 ' CD2' HD12 ' A' ' 53' ' ' LEU . 15.1 mt -53.42 -40.5 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 p -51.09 -36.47 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -77.62 167.78 21.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -121.14 167.79 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.4 mm? -55.86 -30.19 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.0 -49.56 28.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.84 -42.92 94.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 mt -73.84 -58.8 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.68 28.37 10.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.7 mt -107.74 140.36 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -107.02 17.33 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 77' ' ' LEU . 2.7 tm-20 -163.86 150.05 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.427 ' CA ' ' OE2' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -153.77 170.4 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -123.68 140.35 53.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.67 114.37 28.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 ttm -100.17 143.35 30.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.49 108.05 20.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 82' ' ' VAL . 33.3 m -109.99 70.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -110.69 93.77 4.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.21 -51.78 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.8 144.56 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -84.73 150.8 24.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.15 115.51 0.42 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.462 1.769 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 t 58.1 103.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.8 p -150.75 124.12 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.018 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.155 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t 61.84 91.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -112.02 -58.58 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.91 -67.53 2.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -67.0 146.17 54.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m 62.17 142.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.23 158.51 11.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.32 163.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -92.32 47.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.412 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.5 p -87.05 154.53 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.465 HG11 ' HG3' ' A' ' 29' ' ' PRO . 35.0 m -117.17 161.38 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -84.85 111.09 19.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 75' ' ' ARG . 96.2 t -105.98 142.63 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.875 HG22 HD11 ' A' ' 24' ' ' ILE . 70.8 t -100.35 103.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.51 HD12 ' CG2' ' A' ' 40' ' ' ILE . 24.1 mm -85.59 119.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -112.5 125.03 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.8 p90 -142.66 154.94 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 70.84 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 28.1 mtpt 53.26 31.95 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 19' ' ' LYS . 34.9 p -156.66 -58.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -86.76 152.67 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -148.91 147.16 28.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 t -126.51 150.89 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.875 HD11 HG22 ' A' ' 14' ' ' VAL . 5.4 mm -105.82 139.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG12 ' HD2' ' A' ' 43' ' ' LYS . 25.3 m -145.44 153.69 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -108.99 107.53 17.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.505 ' HB ' HD22 ' A' ' 36' ' ' LEU . 1.9 m -131.77 169.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -84.02 132.58 47.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.465 ' HG3' HG11 ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.04 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -85.15 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.62 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.62 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.7 mt -49.75 -35.08 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -51.21 -34.86 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.869 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.7 mm-40 -90.68 -22.94 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 40' ' ' ILE . 57.9 mt -95.95 10.46 37.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -74.11 -49.82 5.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -44.01 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.869 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.6 -26.89 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.569 HD13 HD11 ' A' ' 77' ' ' LEU . 54.0 mt -90.15 -59.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.791 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.55 -49.02 57.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 108.288 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -53.77 -44.65 70.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HG12 ' A' ' 25' ' ' VAL . 21.8 mmtt -57.62 -38.33 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.99 17.99 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 44.07 37.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -92.72 167.13 12.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.07 113.4 65.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.8 -39.71 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -136.17 59.27 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.791 HG21 ' SG ' ' A' ' 41' ' ' CYS . 3.4 m -120.94 145.21 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 52' ' ' LEU . 7.8 mt -124.37 163.33 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 77' ' ' LEU . 90.2 mt -126.81 110.41 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.784 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.94 169.13 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.676 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -53.82 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.02 -175.94 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 58' ' ' GLN . 5.0 t80 -59.19 -15.44 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.536 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 6.6 mm-40 -138.88 90.87 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 18.1 t -160.27 -49.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 68.91 26.03 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -124.08 125.47 25.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.431 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.05 139.77 24.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 54' ' ' LEU . 1.6 mt -89.53 -179.78 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.55 108.59 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -51.59 -46.06 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.7 p -47.72 -35.35 9.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.37 -175.51 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 p -141.98 169.29 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.8 mm? -52.55 -30.95 33.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -58.21 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -41.49 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.25 -61.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.97 23.83 8.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.4 mt -109.06 155.46 20.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 13' ' ' VAL . 1.6 mmt-85 -111.88 -20.44 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 12.6 pm0 -130.14 149.71 51.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.569 HD11 HD13 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -141.95 165.91 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 86.2 t80 -116.94 144.32 44.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.69 111.14 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttm -95.68 126.63 41.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.55 109.82 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 50' ' ' HIS . 7.1 m -94.45 -34.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 47.61 84.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.405 ' H ' ' CG ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER 71.46 126.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' OE2' ' CB ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -158.98 -44.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.436 ' CB ' ' OE2' ' A' ' 85' ' ' GLU . 33.4 p -113.33 -53.39 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.04 -163.99 25.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.27 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.52 94.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.03 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 t -116.17 168.49 10.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -116.49 138.26 51.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m 61.07 108.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.65 69.99 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -83.63 -55.45 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 71.0 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.02 -150.42 7.64 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -104.18 87.17 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -121.38 56.58 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.1 p -102.03 152.16 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.34 158.01 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.6 ptp180 -87.84 116.91 26.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.1 145.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.967 HG22 HD11 ' A' ' 24' ' ' ILE . 54.2 t -90.42 112.56 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.566 HD12 ' CG2' ' A' ' 40' ' ' ILE . 9.7 mm -100.21 96.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.52 122.47 32.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.597 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 24.5 p90 -144.67 172.14 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.74 ' O ' HG22 ' A' ' 20' ' ' THR . 6.4 mttt 71.56 6.8 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.617 ' C ' HG22 ' A' ' 20' ' ' THR . 11.7 mttt 59.46 40.05 21.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 173.2 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.74 154.63 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.25 150.51 30.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.2 t -140.58 160.39 40.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.967 HD11 HG22 ' A' ' 14' ' ' VAL . 25.7 mm -112.04 139.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -140.09 153.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.81 109.3 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' C ' HG22 ' A' ' 10' ' ' THR . 2.6 m -136.26 176.83 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.582 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.8 t -84.31 128.38 62.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -79.7 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 147.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.71 149.35 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.2 mt -49.76 -29.66 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -56.54 -33.8 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.804 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.2 mm-40 -93.21 -24.54 18.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 28' ' ' SER . 82.5 mt -95.52 10.56 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.34 -50.17 15.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.6 Cg_endo -74.94 -42.75 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.7 mt -55.03 -36.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.566 ' CG2' HD12 ' A' ' 15' ' ' ILE . 29.2 mt -80.08 -62.16 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -46.56 -40.75 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 25.8 t -56.04 -49.47 73.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 39' ' ' ILE . 2.8 mptp? -54.63 -39.99 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 1.2 m -95.6 18.04 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' CYS . 3.7 mt-10 37.75 42.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.3 m-30 -90.18 -170.93 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -118.44 109.72 39.98 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 -48.55 67.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.72 59.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.725 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.03 135.24 55.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -109.32 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD12 ' CD2' ' A' ' 65' ' ' LEU . 95.0 mt -132.72 98.11 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.9 164.28 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' CD ' ' CD2' ' A' ' 63' ' ' LEU . 7.0 mmmt -55.78 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.93 -176.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -64.35 -23.51 67.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -131.83 86.45 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.71 -46.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 69.68 26.08 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -116.09 113.21 41.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.577 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.01 146.92 33.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' CD2' ' CD ' ' A' ' 55' ' ' LYS . 3.3 mt -92.52 171.19 9.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.12 100.79 11.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.686 ' CD2' HD12 ' A' ' 53' ' ' LEU . 5.6 mt -44.93 -53.72 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.3 p -41.45 -32.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -86.81 153.3 21.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -106.67 174.83 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.0 mm? -59.65 -31.85 69.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.66 -49.8 56.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -61.06 -53.26 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.99 -40.85 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.42 33.1 36.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.9 mt -114.16 163.1 15.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.14 1.64 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 19.0 pm0 -151.64 156.35 40.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.78 170.4 21.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.432 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 86.8 t80 -122.19 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.5 111.02 23.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.581 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.7 ttp -98.12 140.23 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -110.05 102.77 11.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.409 ' H ' HG22 ' A' ' 82' ' ' VAL . 5.5 m -79.39 -31.7 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 51.25 66.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -141.61 -71.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.14 -59.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.9 m 45.09 91.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.78 116.96 1.46 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.04 25.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.1 m -158.94 132.46 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 t -76.36 134.74 39.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -125.04 135.47 52.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -95.58 102.23 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.38 -168.25 11.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t -138.03 86.18 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t 62.55 112.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.56 140.59 6.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.35 39.34 3.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -81.27 55.78 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -109.07 154.65 21.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.3 m -113.5 153.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 24.7 ptt85 -84.07 121.1 26.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 13.8 t -118.7 147.16 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.002 HG22 HD11 ' A' ' 24' ' ' ILE . 43.7 t -92.74 129.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.535 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.6 mm -113.93 96.08 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -84.79 124.47 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 18.4 p90 -143.72 154.62 43.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER 71.27 6.66 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' C ' HG23 ' A' ' 20' ' ' THR . 3.6 mtmp? 53.42 29.57 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.5 HG23 ' C ' ' A' ' 19' ' ' LYS . 36.4 p -156.79 -54.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.43 157.59 18.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.2 151.12 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -137.63 152.64 49.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.002 HD11 HG22 ' A' ' 14' ' ' VAL . 22.0 mm -106.03 151.18 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG12 ' HD2' ' A' ' 43' ' ' LYS . 25.8 m -150.71 153.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.36 108.11 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -130.29 177.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.35 129.57 50.92 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -85.63 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.644 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.71 155.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 m -84.93 158.99 20.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 38.0 mt -56.01 -38.3 70.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -36.38 23.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.84 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.6 mt-10 -87.6 -23.67 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 40' ' ' ILE . 67.5 mt -95.67 10.46 36.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -72.06 -50.06 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -43.61 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.63 -26.67 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.535 ' CG2' HD12 ' A' ' 15' ' ' ILE . 52.6 mt -90.81 -59.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.71 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.63 -47.39 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 33.0 t -56.29 -41.39 75.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HG12 ' A' ' 25' ' ' VAL . 15.9 mmtt -60.39 -37.82 82.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.4 15.27 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' CYS . 21.5 mt-10 44.89 43.39 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -96.35 177.8 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.88 106.58 53.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -1.29 11.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 50' ' ' HIS . 0.4 OUTLIER -66.13 -48.71 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -129.55 60.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.57 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.71 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -120.97 138.13 54.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.5 HD12 HG11 ' A' ' 82' ' ' VAL . 4.7 mt -112.73 169.82 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.826 HD12 ' CD2' ' A' ' 65' ' ' LEU . 80.8 mt -129.35 96.8 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.6 mm? -90.94 161.59 15.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD2' HD21 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -51.99 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.09 168.47 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.98 -40.02 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -101.67 73.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -171.01 152.56 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -122.04 23.98 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.32 115.37 63.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 142.66 27.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.583 HD21 ' HD2' ' A' ' 55' ' ' LYS . 15.6 mt -89.46 157.68 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -89.63 100.58 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.826 ' CD2' HD12 ' A' ' 53' ' ' LEU . 45.2 mt -41.45 -56.5 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 66' ' ' THR . 81.6 p -41.5 -37.42 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 4.1 mmpt? -72.79 151.65 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -106.95 161.72 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.16 -28.94 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -57.08 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -51.81 -42.18 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -73.69 -51.44 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.34 35.21 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.6 mt -121.37 156.55 32.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 1.3 tpt180 -117.82 -6.69 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -138.25 150.38 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.59 170.38 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -121.53 142.79 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.6 111.14 23.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.545 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.1 tpp -97.55 136.86 37.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -101.67 97.51 7.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.5 HG11 HD12 ' A' ' 52' ' ' LEU . 22.9 m -82.63 -47.85 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.449 ' N ' HG23 ' A' ' 82' ' ' VAL . 74.7 m-20 39.35 82.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.15 106.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.73 158.83 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -163.31 108.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.48 177.47 44.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.09 3.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.7 p -169.0 -57.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.5 p -159.29 101.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -84.25 109.95 18.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.54 153.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.17 139.02 4.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.31 101.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.19 113.67 24.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.07 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 168.73 24.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.74 130.4 55.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -146.12 55.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.529 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.0 p -85.79 152.29 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.37 161.02 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.0 ptp180 -86.49 115.91 24.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 75' ' ' ARG . 76.9 t -118.99 130.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.894 HG22 HG12 ' A' ' 24' ' ' ILE . 83.6 t -89.62 134.99 27.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -112.81 107.64 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.15 116.3 22.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.1 p90 -144.76 163.67 33.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.794 ' O ' HG22 ' A' ' 20' ' ' THR . 0.3 OUTLIER 72.45 5.17 5.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.639 ' C ' HG22 ' A' ' 20' ' ' THR . 15.8 mttt 57.11 43.09 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.78 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.6 mt-30 -80.22 151.95 29.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.65 156.19 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.425 HG21 ' SG ' ' A' ' 44' ' ' CYS . 12.6 t -149.16 139.12 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.894 HG12 HG22 ' A' ' 14' ' ' VAL . 3.6 mt -100.25 147.74 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.52 153.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.48 107.78 18.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.529 ' C ' HG22 ' A' ' 10' ' ' THR . 6.0 m -137.85 179.12 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -84.32 127.01 67.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.93 20.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -77.51 -63.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.82 148.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.6 150.21 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' ALA . 30.5 mt -49.14 -32.81 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -54.4 -35.09 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.72 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.4 mp0 -90.45 -24.23 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD23 HD13 ' A' ' 39' ' ' ILE . 63.2 mt -95.45 10.3 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.56 -50.16 47.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -42.52 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.33 -28.48 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -88.41 -58.54 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.832 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -51.32 -49.0 62.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 10.1 t -56.7 -41.29 77.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -59.89 -37.33 79.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.07 20.37 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 40.56 45.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.1 m-30 -98.86 -174.28 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.41 113.79 36.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HA ' ' HB ' ' A' ' 51' ' ' THR . 18.4 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -49.7 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.832 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.4 m -121.58 130.87 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.25 171.52 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' CD2' ' A' ' 65' ' ' LEU . 56.2 mt -128.26 96.82 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 60' ' ' GLN . 1.2 mm? -93.83 151.57 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.555 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -54.65 -57.27 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.28 171.11 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD2' ' HE2' ' A' ' 19' ' ' LYS . 5.2 t80 -68.92 -14.66 63.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -105.18 -15.63 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 6.3 m -93.09 -49.99 5.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.915 ' O ' HD12 ' A' ' 54' ' ' LEU . 38.3 mm-40 77.96 -53.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -38.38 129.55 1.06 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.03 162.05 37.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -97.97 176.06 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 115.06 29.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.548 ' CD2' HD12 ' A' ' 53' ' ' LEU . 19.2 mt -61.92 -45.58 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -52.39 -27.96 17.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -89.64 172.36 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -121.98 176.3 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 69' ' ' LEU . 1.7 mm? -61.93 -31.09 71.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.89 -51.07 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.27 79.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mt -69.71 -68.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.29 30.99 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.7 mt -118.58 155.6 30.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -103.09 -25.4 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -129.43 168.82 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.75 169.02 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -119.05 134.9 54.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.75 120.64 42.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.639 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.9 tpp -105.62 143.77 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.92 105.29 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.661 HG23 ' N ' ' A' ' 83' ' ' ASN . 15.4 m -101.5 -138.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.661 ' N ' HG23 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -135.48 -50.15 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.81 102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.79 91.48 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.7 m -169.23 115.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.63 163.89 46.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -58.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.4 p -175.79 162.46 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.4 p -90.81 132.0 36.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -161.34 -56.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.13 102.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.58 -176.85 40.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -159.95 125.13 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -147.21 167.47 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.56 95.43 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -122.72 -179.13 4.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mttt 59.07 56.56 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.452 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.6 p -84.9 151.3 24.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.49 152.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.73 106.01 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -103.25 140.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.119 HG22 HD11 ' A' ' 24' ' ' ILE . 60.7 t -95.04 134.11 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.458 ' HB ' HG22 ' A' ' 23' ' ' THR . 15.2 mm -118.42 94.25 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' ND2' ' OE2' ' A' ' 76' ' ' GLU . 62.1 m-80 -85.88 122.43 29.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.4 p90 -144.58 169.85 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 20' ' ' THR . 14.6 mttt 71.71 6.5 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.604 ' C ' HG22 ' A' ' 20' ' ' THR . 3.6 mttt 58.67 40.53 23.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER 175.47 -48.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.9 mm-40 -78.34 154.06 31.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -151.82 150.22 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.458 HG22 ' HB ' ' A' ' 15' ' ' ILE . 9.5 t -135.39 157.79 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.119 HD11 HG22 ' A' ' 14' ' ' VAL . 27.5 mm -114.37 136.17 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.41 HG12 ' HD2' ' A' ' 43' ' ' LYS . 19.9 m -143.8 150.07 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -97.09 131.23 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.514 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -156.34 172.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.529 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -85.24 132.7 44.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -17.13 19.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -74.82 -55.34 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.72 144.42 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.36 146.04 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 25.0 mt -46.34 -31.56 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -54.63 -35.0 62.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.735 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.6 mm-40 -90.93 -23.61 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 28' ' ' SER . 86.0 mt -95.49 10.27 37.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -68.41 -49.95 29.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.0 -43.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.68 -27.42 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.421 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.6 mt -89.79 -61.53 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.636 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -49.83 -48.7 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.272 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 23.2 t -53.57 -46.14 70.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HD2' HG12 ' A' ' 25' ' ' VAL . 18.0 mmtt -54.84 -38.82 67.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.591 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.66 20.81 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 39.29 36.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -85.59 174.14 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.44 107.45 53.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.42 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.43 -49.51 66.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.18 60.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.636 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -120.92 145.62 47.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 52' ' ' LEU . 9.9 mt -120.88 168.75 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.823 HD12 ' CD2' ' A' ' 65' ' ' LEU . 85.8 mt -126.69 103.01 7.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.62 164.18 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -54.88 -52.02 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.04 -156.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.94 -20.53 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.93 83.51 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.221 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -177.75 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 72.64 3.88 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.07 117.35 68.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.585 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.06 146.78 32.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -99.12 173.58 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 119.16 38.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.823 ' CD2' HD12 ' A' ' 53' ' ' LEU . 19.3 mt -61.73 -42.74 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -51.64 -21.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -94.6 168.09 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 p -123.99 171.89 9.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -57.65 -31.13 65.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -70.66 -48.69 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.77 -48.6 81.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.92 -48.86 64.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.9 29.49 28.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.0 mt -114.14 164.36 13.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 8.46 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE2' ' ND2' ' A' ' 16' ' ' ASN . 32.6 tt0 -144.8 144.58 31.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -155.45 170.57 21.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -126.42 152.71 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.77 113.84 22.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.8 ttm -106.38 122.61 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.54 104.63 15.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.23 68.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -98.22 83.11 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.18 -55.86 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -118.94 160.98 20.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -120.93 163.68 17.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -158.72 156.52 27.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.435 1.084 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.47 40.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.84 113.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.67 133.6 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m -109.34 157.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -89.24 110.57 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -108.54 149.31 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 9.4 t -99.55 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.3 mm -108.7 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -81.79 127.04 32.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 41.1 p90 -144.51 152.88 41.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 14.0 9.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 9.8 mttp 44.0 30.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -151.72 -52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 46.3 mt-30 -94.74 153.52 17.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.53 152.75 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -139.96 162.44 35.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.441 HG12 HG22 ' A' ' 14' ' ' VAL . 3.5 mt -118.47 141.9 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.99 155.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 108.58 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.554 HG11 ' CG2' ' A' ' 39' ' ' ILE . 8.1 m -139.56 170.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.519 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -75.06 129.8 82.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.66 20.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -70.26 -61.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.14 140.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.8 151.14 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 52.8 mt -50.86 -29.68 12.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -56.93 -34.7 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.743 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.5 mm-40 -92.66 -24.69 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' O ' ' A' ' 28' ' ' SER . 92.4 mt -94.9 10.14 36.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.733 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.18 -50.85 38.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.64 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -54.75 -30.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.48 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.6 mt -88.46 -63.24 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.788 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.4 m -45.82 -46.53 15.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 68.0 m -55.02 -46.09 75.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -57.23 -29.73 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -109.96 22.21 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 39.16 34.28 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -86.18 168.57 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 1.5 t70 -100.84 109.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.21 10.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.62 -37.17 68.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 5.6 m-70 -138.93 57.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.788 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.1 142.21 50.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.5 mt -115.98 159.65 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 84.3 mt -122.16 97.26 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.625 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.6 mm? -90.31 163.52 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.707 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.7 mmmm -51.72 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.49 170.67 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -44.88 -41.81 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -70.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.42 156.01 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 54' ' ' LEU . 13.5 mt-30 -126.33 10.74 7.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -76.71 135.36 68.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.0 144.64 30.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.707 HD21 ' HA ' ' A' ' 55' ' ' LYS . 4.3 mt -94.06 170.46 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.03 116.7 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.6 -57.29 10.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.9 p -40.11 -35.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -82.71 142.59 31.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.0 174.79 5.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -49.39 -32.44 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.17 -58.91 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.18 -40.4 67.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -71.89 -58.9 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.16 34.62 5.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -123.59 160.08 27.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.22 -12.86 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -138.55 153.97 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.35 170.26 19.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 78.8 t80 -122.18 140.52 52.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.88 111.26 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.493 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.5 ttp -96.75 144.32 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.06 165.23 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 -91.13 110.86 22.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.23 145.47 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.066 HG22 HD11 ' A' ' 24' ' ' ILE . 19.9 t -96.9 135.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.512 HD12 ' CG2' ' A' ' 40' ' ' ILE . 8.1 mm -124.96 95.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -85.37 125.0 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.3 p90 -144.48 168.61 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 72.26 6.96 5.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.692 ' C ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 58.91 44.71 16.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 170.29 -48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 36.7 mt-30 -79.93 159.14 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -151.78 150.26 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.488 HG21 ' SG ' ' A' ' 44' ' ' CYS . 12.6 t -133.72 144.54 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.066 HD11 HG22 ' A' ' 14' ' ' VAL . 31.1 mm -103.34 139.09 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 m -141.52 152.3 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.04 111.24 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -132.86 179.35 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.14 31.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.1 19.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.21 -63.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.598 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.65 150.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.53 149.84 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 31.9 mt -48.05 -27.09 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.56 -34.32 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.736 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.6 mm-40 -94.05 -20.12 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 mt -94.61 0.24 55.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -57.02 -50.04 90.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.538 1.81 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.4 mt -57.47 -27.34 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.512 ' CG2' HD12 ' A' ' 15' ' ' ILE . 48.4 mt -88.66 -61.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.707 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.29 -49.48 53.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 20.6 t -53.86 -43.7 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -58.05 -39.66 78.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.88 18.6 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 42.94 42.0 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.3 m-30 -97.68 176.03 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.79 115.34 59.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.36 11.11 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.81 -49.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.627 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.707 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.9 m -120.96 135.18 55.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.2 mt -116.39 158.71 23.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.963 HD12 ' CD2' ' A' ' 65' ' ' LEU . 80.1 mt -122.13 102.61 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.763 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -99.32 166.8 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.515 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -54.24 -53.32 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -161.08 177.91 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -58.24 -39.92 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -65.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 m -54.18 168.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -138.53 21.78 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -92.96 128.48 43.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.589 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.98 138.01 22.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.619 HD11 ' O ' ' A' ' 54' ' ' LEU . 1.4 mt -88.97 167.21 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.24 103.55 15.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.963 ' CD2' HD12 ' A' ' 53' ' ' LEU . 17.0 mt -49.21 -45.42 44.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.6 p -43.06 -43.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -71.85 164.21 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -114.3 169.32 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.3 mm? -56.71 -31.01 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -73.21 -53.68 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.17 -47.4 78.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.3 -55.5 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.06 20.18 28.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.2 mt -104.25 143.83 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 18.7 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 2.9 pm0 -164.21 159.17 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.71 168.94 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -122.75 144.44 49.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.28 112.13 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.4 ttm -98.89 143.0 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.448 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.7 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.79 154.9 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 18.7 ptt180 -82.85 113.54 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -106.82 143.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 24' ' ' ILE . 79.1 t -89.91 104.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.544 ' HB ' HG23 ' A' ' 23' ' ' THR . 14.9 mm -90.97 103.21 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -89.97 123.66 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.596 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.0 p90 -144.74 171.86 13.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.78 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 71.38 6.34 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' C ' HG22 ' A' ' 20' ' ' THR . 7.9 mttt 60.66 32.14 20.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -178.52 -47.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -76.69 161.74 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -149.96 152.46 35.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.544 HG23 ' HB ' ' A' ' 15' ' ' ILE . 4.1 t -140.67 147.56 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.445 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.861 HD11 HG22 ' A' ' 14' ' ' VAL . 15.4 mm -100.96 140.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.0 m -142.27 153.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.6 109.04 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.457 HG12 HG21 ' A' ' 39' ' ' ILE . 1.3 m -134.38 172.96 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.07 129.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.89 16.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -86.43 -62.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.05 155.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.35 147.92 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 19.5 mt -50.56 -29.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -55.82 -34.95 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.77 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.0 mm-40 -90.5 -22.69 21.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.424 HD22 ' HB ' ' A' ' 27' ' ' VAL . 54.0 mt -94.84 9.83 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.747 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.79 -51.01 31.51 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.03 -43.71 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -55.75 -26.0 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.489 ' CG2' HD12 ' A' ' 15' ' ' ILE . 57.4 mt -92.36 -62.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.735 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -48.6 -45.23 37.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 66.6 m -54.27 -43.92 71.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.949 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -57.66 -39.19 76.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -98.11 17.05 19.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 44.94 48.61 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 8.2 m-30 -103.4 -175.47 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 0.3 OUTLIER -114.95 108.49 48.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.81 10.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.74 -36.51 73.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.438 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 5.3 m-70 -139.38 58.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.735 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.5 m -120.97 141.71 50.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.4 mt -113.56 158.34 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.874 HD12 HD23 ' A' ' 65' ' ' LEU . 80.7 mt -121.72 98.89 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -95.23 164.68 12.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -56.17 -62.87 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -147.22 179.66 7.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.36 -49.63 69.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -68.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 149.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -121.74 20.41 10.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.01 118.58 70.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.612 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.95 132.25 15.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.4 mt -80.0 159.62 26.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.19 113.02 25.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.874 HD23 HD12 ' A' ' 53' ' ' LEU . 11.2 mt -57.66 -44.2 85.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -20.49 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -93.91 165.84 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.1 171.25 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.6 mm? -54.64 -32.35 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -69.74 -57.49 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.01 -57.44 10.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.73 -57.21 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.76 28.38 9.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 69' ' ' LEU . 68.1 mt -108.69 147.94 31.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.61 -6.49 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -146.01 150.47 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.74 170.36 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.438 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 73.7 t80 -120.51 146.71 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.61 111.47 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.522 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.3 tpp -95.68 138.98 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.7 m -107.87 165.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -91.26 123.86 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -124.63 137.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.978 HG22 HD11 ' A' ' 24' ' ' ILE . 58.2 t -92.91 121.42 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.521 HD12 ' CG2' ' A' ' 40' ' ' ILE . 23.6 mm -103.78 94.1 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -85.54 125.76 33.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -143.66 156.56 44.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.54 9.34 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' O ' HG23 ' A' ' 20' ' ' THR . 12.5 mtmm 46.02 34.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 19' ' ' LYS . 16.0 p -156.49 -45.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.63 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 152.46 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 15' ' ' ILE . 15.3 t -131.99 159.61 38.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.397 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.978 HD11 HG22 ' A' ' 14' ' ' VAL . 19.6 mm -113.21 140.37 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG12 ' HD2' ' A' ' 43' ' ' LYS . 26.8 m -142.37 154.37 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.18 111.01 22.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.98 170.66 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.543 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -81.77 135.69 48.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.021 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.94 -22.49 14.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -66.79 -61.44 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.638 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.74 145.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p -82.08 148.36 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 46.9 mt -47.93 -31.34 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -56.27 -34.16 66.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.848 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.5 mm-40 -91.72 -22.43 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD11 ' O ' ' A' ' 28' ' ' SER . 87.5 mt -95.8 10.27 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -72.02 -49.76 9.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.0 Cg_endo -75.08 -42.83 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.18 -28.65 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.521 ' CG2' HD12 ' A' ' 15' ' ' ILE . 49.8 mt -88.79 -55.09 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.623 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -53.17 -49.19 67.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -56.27 -40.77 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HD2' HG12 ' A' ' 25' ' ' VAL . 20.7 mmtt -58.79 -40.95 85.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.3 17.44 18.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 43.23 44.95 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -96.31 -175.72 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.29 110.51 47.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.72 10.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.56 -43.23 81.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.02 59.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.623 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.8 m -121.17 135.01 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.3 mt -111.67 166.13 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 ' CD2' ' A' ' 65' ' ' LEU . 76.9 mt -125.8 98.4 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.794 ' O ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -90.57 164.89 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.873 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.4 mmmm -53.1 -56.24 17.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -164.57 -176.44 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.3 -45.29 84.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.99 167.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -137.98 16.35 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -84.3 135.64 41.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.5 Cg_endo -74.96 140.52 25.65 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' A' ' 55' ' ' LYS . 3.5 mt -91.24 162.48 14.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.58 104.8 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.746 ' CD2' HD12 ' A' ' 53' ' ' LEU . 71.5 mt -43.53 -53.58 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -40.88 -39.67 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.08 138.72 39.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 p -101.36 173.22 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.6 mm? -53.0 -29.87 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -73.59 -54.71 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.9 -49.72 76.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.4 -51.68 61.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.44 18.64 56.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 69' ' ' LEU . 52.4 mt -109.24 145.96 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -110.3 -10.76 14.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -122.47 151.53 41.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.76 170.37 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -133.35 144.76 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.25 112.96 26.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 ttm -97.19 141.75 29.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.6 m -112.97 159.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -87.6 121.1 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 15.0 t -121.1 145.18 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.079 HG22 HD11 ' A' ' 24' ' ' ILE . 38.2 t -95.29 130.51 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.525 HD12 ' CG2' ' A' ' 40' ' ' ILE . 13.0 mm -116.32 94.11 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 19.4 p90 -144.47 167.85 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.739 ' O ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER 71.96 7.2 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.634 ' C ' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER 59.47 41.14 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 173.46 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.59 155.67 31.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 150.12 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.506 HG22 ' HB ' ' A' ' 15' ' ' ILE . 14.3 t -136.44 142.23 43.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.079 HD11 HG22 ' A' ' 14' ' ' VAL . 31.0 mm -100.46 146.19 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.43 154.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.16 108.64 19.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -127.54 -175.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.545 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -97.44 132.11 25.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.05 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -78.46 -59.13 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.95 149.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -83.58 154.93 23.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 51.6 mt -52.77 -34.79 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -53.18 -35.3 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.815 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.2 mm-40 -90.21 -23.32 21.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD11 ' O ' ' A' ' 28' ' ' SER . 93.5 mt -95.87 10.38 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.55 -49.67 11.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.03 -42.63 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.61 -28.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.525 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.8 mt -88.45 -60.4 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.512 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -50.62 -48.75 57.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 65.3 m -53.49 -44.9 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.51 -40.73 75.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.39 20.66 13.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 39.74 47.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.21 173.4 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -105.48 111.55 64.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.31 -49.87 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -129.21 60.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.512 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.7 m -121.06 137.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.1 mt -111.85 159.24 18.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 82.1 mt -120.79 101.59 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.795 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -102.72 161.55 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HD2' ' CB ' ' A' ' 61' ' ' GLU . 24.6 mtpt -55.04 -62.03 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.19 169.71 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.366 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.466 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 1.9 t80 -52.5 -36.25 54.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.24 158.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -128.6 13.28 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . 4.1 mt-10 -78.91 122.26 84.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.464 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.06 138.19 22.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.39 151.87 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -90.53 109.41 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 p -39.16 -33.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ASP . 3.3 mmpt? -84.01 138.8 32.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -99.46 -177.43 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 74' ' ' LEU . 1.7 mm? -61.43 -32.02 71.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.1 -48.87 40.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.19 -45.39 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.43 -70.87 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.6 9.62 11.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 69' ' ' LEU . 78.8 mt -104.32 151.31 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 2.5 tpt180 -110.77 -10.46 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -129.72 151.66 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.85 167.58 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.407 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 75.9 t80 -125.25 146.79 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.65 111.25 23.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 ttm -103.05 136.87 42.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.8 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.58 156.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ptt-85 -84.55 124.11 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -119.77 143.3 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.913 HG22 HD11 ' A' ' 24' ' ' ILE . 37.7 t -89.97 112.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.693 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.0 mm -95.28 99.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -90.26 124.65 35.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 28.5 p90 -144.51 157.33 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 64.94 12.87 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 20' ' ' THR . 33.4 mtmt 44.77 31.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 19' ' ' LYS . 16.1 p -154.79 -50.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 68.1 mt-30 -94.3 154.53 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -151.17 149.97 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -137.13 158.42 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.913 HD11 HG22 ' A' ' 14' ' ' VAL . 21.9 mm -109.19 138.38 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG12 ' HG2' ' A' ' 43' ' ' LYS . 22.5 m -138.37 152.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 114.7 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.508 ' HB ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -139.25 176.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -84.53 128.49 61.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -85.16 -63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.614 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.41 156.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.68 148.92 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.506 ' CD2' HD21 ' A' ' 69' ' ' LEU . 52.4 mt -50.09 -30.42 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.86 -34.64 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.884 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -92.18 -21.98 20.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 40' ' ' ILE . 53.3 mt -96.44 10.37 38.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -75.57 -50.1 3.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -44.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.59 -24.62 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.693 ' CG2' HD12 ' A' ' 15' ' ' ILE . 57.4 mt -93.48 -53.3 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.498 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -54.22 -39.51 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.302 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -44.02 80.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -58.79 -40.77 84.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.501 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -94.69 15.21 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 108.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 42.35 39.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -89.83 -172.45 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -121.11 112.97 32.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -64.19 -49.79 70.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -130.27 59.88 1.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.627 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.498 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.8 m -121.15 139.59 53.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -111.07 169.31 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.91 HD12 HD23 ' A' ' 65' ' ' LEU . 83.4 mt -129.68 96.89 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.3 mm? -93.63 158.93 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.51 ' CD ' HD21 ' A' ' 63' ' ' LEU . 5.5 mmmt -51.28 -57.19 9.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -158.38 -161.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -84.66 -37.43 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.63 -25.67 63.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -99.55 168.61 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -136.04 10.19 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -83.08 130.38 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.646 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.01 157.39 42.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.51 HD21 ' CD ' ' A' ' 55' ' ' LYS . 6.3 mt -107.95 167.05 10.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.34 105.67 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.91 HD23 HD12 ' A' ' 53' ' ' LEU . 12.4 mt -46.87 -50.88 17.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.2 p -40.08 -38.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 150.31 34.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -103.75 168.13 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD21 ' CD2' ' A' ' 33' ' ' LEU . 2.5 mm? -54.4 -30.37 51.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -73.46 -56.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -53.44 -40.01 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.9 mt -76.62 -61.56 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 97.39 39.46 3.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.8 141.78 47.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -3.49 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 3.5 pm0 -150.34 150.31 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.405 HD13 HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -150.13 170.46 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -124.35 143.21 50.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.73 111.02 23.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.465 ' HB2' HD23 ' A' ' 54' ' ' LEU . 5.1 ttp -99.97 152.18 20.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.426 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.0 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.408 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 29.4 m -109.64 153.6 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 20.6 ptt180 -82.04 119.62 24.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.22 143.94 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.916 HG22 HD11 ' A' ' 24' ' ' ILE . 65.3 t -91.96 109.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.677 HD12 ' CG2' ' A' ' 40' ' ' ILE . 21.2 mm -93.08 96.54 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -86.72 124.41 32.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 50.5 p90 -144.6 158.85 43.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mttm 67.41 10.3 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 20' ' ' THR . 6.0 mtmt 49.97 29.87 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 19' ' ' LYS . 13.6 p -157.95 -53.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 66.4 mt-30 -86.89 157.19 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -151.72 150.37 30.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -137.38 143.46 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.916 HD11 HG22 ' A' ' 14' ' ' VAL . 15.0 mm -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG12 ' HG2' ' A' ' 43' ' ' LYS . 22.0 m -137.67 152.59 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.8 106.75 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.426 ' C ' HG22 ' A' ' 10' ' ' THR . 4.6 m -133.97 171.53 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -82.35 133.0 51.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.98 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.68 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.36 147.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.09 150.77 30.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.9 mt -51.23 -32.85 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.61 -34.4 50.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.803 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.4 mm-40 -92.7 -23.05 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 28' ' ' SER . 60.3 mt -95.46 10.55 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.0 -50.42 16.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.803 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.0 mt -54.92 -30.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.677 ' CG2' HD12 ' A' ' 15' ' ' ILE . 51.4 mt -88.83 -55.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.631 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.2 m -49.99 -45.74 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 t -52.84 -49.74 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HG2' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -53.89 -40.13 66.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -97.04 20.13 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 108.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 38.58 35.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -88.46 174.67 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.87 112.44 63.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.0 -49.51 67.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' A' ' 50' ' ' HIS . 0.1 OUTLIER -129.56 59.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.636 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.631 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -121.2 137.02 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.447 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.6 mt -111.8 163.82 13.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.995 HD12 ' CD2' ' A' ' 65' ' ' LEU . 82.8 mt -123.29 98.17 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.694 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.1 mm? -97.12 166.88 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HD3' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -58.13 -65.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.34 -177.83 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.93 -17.24 22.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.73 86.32 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 8.4 m -168.76 -48.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 64.74 16.18 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.47 119.12 52.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.628 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -75.01 147.25 33.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.467 ' CD2' ' HD3' ' A' ' 55' ' ' LYS . 4.1 mt -92.57 175.1 6.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.9 100.21 9.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.995 ' CD2' HD12 ' A' ' 53' ' ' LEU . 32.0 mt -47.69 -48.88 29.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 66' ' ' THR . 70.1 p -46.07 -33.48 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.9 172.93 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -125.13 165.38 18.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.8 mm? -52.3 -30.53 28.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.07 -52.49 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.04 -51.94 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.177 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.6 mt -65.85 -47.57 74.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.73 11.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.16 151.21 33.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' NH1' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -108.82 -17.72 13.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 24.6 pm0 -136.69 158.41 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.93 169.55 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -121.69 143.18 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.21 111.15 23.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 51' ' ' THR . 1.8 ttp -94.75 141.17 28.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.2 m -107.37 164.5 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.65 110.11 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 69.0 t -114.0 137.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.709 HG22 ' CG1' ' A' ' 24' ' ' ILE . 69.1 t -91.4 146.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.438 HD12 ' CG2' ' A' ' 40' ' ' ILE . 13.8 mm -128.47 94.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 40.9 m-80 -83.36 118.65 23.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 23.8 p90 -144.5 168.86 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.787 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER 72.0 6.32 5.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.64 ' C ' HG22 ' A' ' 20' ' ' THR . 2.2 mtmt 57.3 43.73 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.32 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -80.68 150.06 29.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.24 154.73 36.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t -152.8 151.38 30.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.709 ' CG1' HG22 ' A' ' 14' ' ' VAL . 2.0 mt -105.95 145.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 155.02 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -103.65 110.14 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 10' ' ' THR . 2.5 m -138.62 176.7 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -86.45 132.22 43.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.02 -25.09 12.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -62.99 -54.31 40.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.61 148.16 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.17 152.67 22.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 39.3 mt -51.31 -28.12 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -58.57 -37.74 76.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.734 ' O ' HD12 ' A' ' 39' ' ' ILE . 10.1 mm-40 -89.04 -23.23 22.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.532 HD11 ' O ' ' A' ' 28' ' ' SER . 93.0 mt -95.42 10.23 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.66 -50.37 35.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.3 -28.18 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' A' ' 15' ' ' ILE . 51.5 mt -89.34 -62.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.681 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -48.34 -46.32 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 59.3 m -57.29 -45.95 83.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.31 -26.78 65.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -110.57 18.48 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.75 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -100.3 -177.38 3.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.71 112.79 47.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.97 -49.71 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 59.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.681 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -120.98 133.85 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.1 mt -109.48 159.68 16.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.878 HD12 ' CD2' ' A' ' 65' ' ' LEU . 78.7 mt -122.95 103.74 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.742 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -98.54 158.35 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.693 ' HG2' HD21 ' A' ' 63' ' ' LEU . 6.7 mtpt -55.56 -47.8 75.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.94 168.19 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.25 -40.9 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -68.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.7 m -52.97 165.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -135.55 17.14 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 5.9 mt-10 -91.88 134.6 28.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.445 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.99 145.16 31.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.693 HD21 ' HG2' ' A' ' 55' ' ' LYS . 37.5 mt -91.94 148.1 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.47 108.96 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.878 ' CD2' HD12 ' A' ' 53' ' ' LEU . 44.4 mt -54.56 -52.15 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -28.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.84 143.74 27.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 168.94 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.7 mm? -57.76 -33.76 68.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.82 -43.99 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -65.45 -50.1 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.32 -54.17 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.01 28.75 22.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.2 mt -115.78 116.93 28.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.22 9.52 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -145.73 154.52 42.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.45 170.34 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 63.0 t80 -131.74 148.26 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.82 111.28 23.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.8 ttm -105.9 131.5 53.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -112.91 165.96 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -88.42 112.64 23.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.42 139.52 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.955 HG22 HD11 ' A' ' 24' ' ' ILE . 59.5 t -95.73 123.58 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mm -106.19 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -85.31 124.42 31.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 32.8 p90 -143.06 158.53 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 67.73 11.11 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.414 ' C ' HG23 ' A' ' 20' ' ' THR . 13.3 mtpt 44.52 30.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 19' ' ' LYS . 16.5 p -153.63 -47.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -99.66 160.26 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.86 156.75 42.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.624 HG21 ' SG ' ' A' ' 44' ' ' CYS . 14.8 t -144.26 141.84 30.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.955 HD11 HG22 ' A' ' 14' ' ' VAL . 4.2 mm -98.69 144.25 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.41 153.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -105.48 107.36 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.517 ' CG1' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -128.27 171.19 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.51 134.57 33.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -10.14 21.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -79.17 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.24 150.6 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.95 150.98 23.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.5 mt -47.35 -33.2 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.72 -35.46 63.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.828 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -90.07 -22.13 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD22 ' CG1' ' A' ' 27' ' ' VAL . 50.1 mt -95.66 10.28 37.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.45 -50.04 11.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -75.03 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.828 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.0 mt -55.09 -32.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' LYS . 60.4 mt -84.48 -65.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.716 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.3 m -45.05 -45.78 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 70.2 m -58.99 -39.49 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ILE . 20.0 mmtt -64.09 -24.38 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.624 ' SG ' HG21 ' A' ' 23' ' ' THR . 0.8 OUTLIER -116.98 20.49 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' CYS . 38.6 mt-10 38.79 41.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.2 m-30 -92.06 165.63 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -97.41 110.43 54.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.36 -15.88 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 50' ' ' HIS . 0.3 OUTLIER -155.46 53.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.716 HG21 ' SG ' ' A' ' 41' ' ' CYS . 5.8 m -120.07 136.16 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 52' ' ' LEU . 7.4 mt -115.78 167.46 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.749 HD12 ' CD2' ' A' ' 65' ' ' LEU . 76.9 mt -129.56 107.97 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.781 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.14 170.9 7.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 59' ' ' SER . 6.9 mmmt -55.1 -55.75 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.31 -178.41 7.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.408 ' CD1' ' HG2' ' A' ' 19' ' ' LYS . 5.8 t80 -61.13 -23.59 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.97 53.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -150.99 166.08 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -134.62 13.27 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.09 115.67 65.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 128.54 11.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -78.39 159.55 28.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.62 121.7 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.749 ' CD2' HD12 ' A' ' 53' ' ' LEU . 12.2 mt -61.56 -50.36 72.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.6 p -44.04 -33.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.21 151.1 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -100.92 171.74 7.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.3 mm? -58.01 -28.76 64.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -72.55 -55.06 7.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -53.78 -40.64 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.5 mt -76.96 -66.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 99.54 35.97 4.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 69' ' ' LEU . 16.5 mt -125.17 122.49 37.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.91 -6.43 55.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -125.97 151.3 47.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.7 170.35 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.429 ' HD2' HD23 ' A' ' 54' ' ' LEU . 73.8 t80 -131.03 145.08 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.23 111.65 24.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.7 ttm -101.49 141.22 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.402 ' HB3' ' CE1' ' A' ' 50' ' ' HIS . 95.6 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -112.03 150.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.5 ptt180 -79.06 113.84 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -108.55 146.96 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 24' ' ' ILE . 56.1 t -93.3 124.81 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.2 mm -113.25 94.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -85.42 124.48 32.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 40.1 p90 -144.52 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 20' ' ' THR . 3.0 mmtt 67.77 9.24 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.709 ' C ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER 58.01 46.07 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 167.88 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -75.05 150.07 39.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 153.3 41.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.443 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.3 t -144.2 150.47 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.052 HD11 HG22 ' A' ' 14' ' ' VAL . 30.8 mm -107.2 142.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 m -144.32 152.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.61 107.93 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.99 164.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.32 133.44 64.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.59 -64.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.15 153.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.7 153.19 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 9.7 mt -50.18 -28.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -58.43 -34.73 71.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.836 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.3 mm-40 -94.31 -20.7 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 40' ' ' ILE . 47.7 mt -96.96 10.27 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.23 -49.72 12.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -74.94 -41.0 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -59.59 -28.23 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.503 ' CG2' HD12 ' A' ' 15' ' ' ILE . 49.7 mt -87.9 -57.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.735 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -53.54 -49.45 67.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.3 t -56.57 -40.48 75.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 19.1 mmtt -58.27 -38.13 76.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.03 18.17 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.256 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 44.39 45.73 7.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -98.58 178.35 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 0.2 OUTLIER -106.2 105.79 55.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -1.1 10.78 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.6 mp -69.71 -34.96 74.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.423 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -140.02 58.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.562 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.735 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.2 m -120.99 137.61 54.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.8 mt -113.21 160.03 18.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.849 HD12 ' CD2' ' A' ' 65' ' ' LEU . 82.9 mt -119.97 97.61 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -96.5 162.51 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.9 mmmm -52.64 -58.73 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -155.74 177.42 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.14 -48.04 74.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -62.68 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -56.42 161.34 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -130.67 11.73 5.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.53 123.92 82.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.551 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.1 Cg_endo -75.06 144.86 30.54 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.515 HD11 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -95.16 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 118.55 31.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.849 ' CD2' HD12 ' A' ' 53' ' ' LEU . 13.4 mt -64.37 -35.37 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -60.82 -14.16 20.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -103.51 147.66 26.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 p -98.68 179.64 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -65.67 -30.1 70.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.75 -49.19 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -59.36 -48.71 80.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 33' ' ' LEU . 25.0 mt -66.23 -52.26 49.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.21 28.78 10.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.25 158.07 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.71 6.33 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -152.01 164.93 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.435 HD11 HD13 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -160.66 170.48 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 89.4 t80 -122.04 142.45 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.98 111.39 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.7 ttm -96.04 141.22 29.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -105.96 154.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 14.4 ptt180 -85.12 114.06 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.79 141.26 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.031 HG22 HD11 ' A' ' 24' ' ' ILE . 30.7 t -93.28 106.92 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 40' ' ' ILE . 25.9 mm -94.96 100.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -91.51 129.29 37.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 33.2 p90 -144.38 155.02 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 69.98 7.87 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HE2' ' CE2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER 52.29 29.88 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 19' ' ' LYS . 36.0 p -155.9 -49.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 72.3 mt-30 -94.13 154.68 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 153.76 36.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -138.06 146.4 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 14' ' ' VAL . 28.0 mm -100.98 144.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -143.3 153.35 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -112.66 110.88 21.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.57 HG11 HG21 ' A' ' 39' ' ' ILE . 3.1 m -139.66 172.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 130.33 73.24 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.89 21.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -72.19 -63.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.77 143.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -77.97 149.99 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 26.0 mt -49.53 -29.81 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -55.27 -34.97 64.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.787 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.9 mm-40 -91.76 -22.05 20.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.75 7.51 46.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.77 -49.37 38.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -74.98 -43.93 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -55.02 -35.67 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 15' ' ' ILE . 43.8 mt -80.69 -62.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.556 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -46.36 -48.94 18.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 43.5 t -51.75 -54.06 32.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -52.95 -34.93 57.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -100.18 20.36 14.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.338 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' CYS . 5.8 mt-10 38.09 35.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -93.84 163.11 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.06 112.83 62.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -46.91 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.03 58.57 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.554 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.556 HG21 ' SG ' ' A' ' 41' ' ' CYS . 3.8 m -113.23 146.77 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 52' ' ' LEU . 5.6 mt -123.04 160.62 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.528 HD22 HD13 ' A' ' 77' ' ' LEU . 94.3 mt -122.18 104.77 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.779 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -98.83 164.85 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.721 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -52.48 -64.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.3 -173.3 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 3.4 t80 -59.96 -40.11 87.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -73.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -55.75 166.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -135.54 14.23 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 134.13 61.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.02 138.59 23.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.779 HD11 ' O ' ' A' ' 54' ' ' LEU . 3.6 mt -91.04 158.38 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.08 123.87 36.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD23 HD12 ' A' ' 53' ' ' LEU . 15.5 mt -58.46 -57.81 11.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -39.6 -31.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.425 ' HG2' HG23 ' A' ' 66' ' ' THR . 0.2 OUTLIER -84.22 142.57 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -110.38 170.8 7.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.5 mm? -49.73 -29.59 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -73.45 -51.27 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -52.0 66.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.61 -52.69 56.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.91 22.44 30.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 69' ' ' LEU . 74.6 mt -106.31 159.52 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -123.89 11.07 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -154.23 152.87 30.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.528 HD13 HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -156.69 169.78 23.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -125.38 147.72 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.95 111.32 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.6 ttm -100.4 133.36 44.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.59 155.67 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 13.9 ptp180 -85.06 115.64 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -107.4 144.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.059 HG22 HD11 ' A' ' 24' ' ' ILE . 71.7 t -94.12 116.48 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.519 HD12 ' CG2' ' A' ' 40' ' ' ILE . 21.4 mm -104.39 99.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.54 123.18 32.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 21.4 p90 -144.44 170.66 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 20' ' ' THR . 7.3 mttt 71.32 6.94 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.602 ' C ' HG22 ' A' ' 20' ' ' THR . 13.4 mttt 58.93 39.47 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 175.04 -46.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.372 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 16.6 mt-30 -78.68 154.49 30.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.85 149.8 31.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.9 t -136.35 163.13 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 HG22 ' A' ' 14' ' ' VAL . 28.7 mm -115.84 145.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.412 HG12 ' HD2' ' A' ' 43' ' ' LYS . 23.7 m -146.48 153.21 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -111.91 109.9 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.673 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -135.52 -177.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.436 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -88.64 126.58 59.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -87.19 -48.81 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.19 153.26 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 146.68 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 50.7 mt -47.41 -36.17 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.78 -35.65 32.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.812 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.3 mm-40 -89.77 -22.93 21.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 40' ' ' ILE . 92.2 mt -95.44 10.35 36.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.728 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.06 -50.23 16.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.728 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.812 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -56.26 -31.56 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 77' ' ' LEU . 44.6 mt -85.49 -60.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.51 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -49.39 -52.13 30.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 67.0 m -51.95 -48.78 64.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HD2' HG12 ' A' ' 25' ' ' VAL . 25.5 mmtt -51.55 -39.41 57.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.51 22.99 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 38.9 46.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.0 169.91 8.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.79 114.34 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.19 9.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.02 -49.74 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 60.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.51 HG21 ' SG ' ' A' ' 41' ' ' CYS . 18.1 m -121.08 148.64 43.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.7 mt -124.1 168.26 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.806 HD12 ' CD2' ' A' ' 65' ' ' LEU . 95.3 mt -129.64 100.69 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.797 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -103.75 164.39 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -59.38 -50.77 72.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -155.06 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.87 -35.99 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -70.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -40.45 152.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -123.57 25.33 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.57 118.47 63.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -74.98 137.95 22.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 53' ' ' LEU . 3.1 mt -80.78 158.24 25.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 109.38 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.806 ' CD2' HD12 ' A' ' 53' ' ' LEU . 16.7 mt -56.27 -37.62 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -61.83 -13.31 22.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -99.46 178.9 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 p -130.44 162.8 28.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 74' ' ' LEU . 3.1 mm? -50.01 -31.21 12.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.37 -55.64 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.28 -42.61 66.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.9 -67.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.75 16.47 9.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 69' ' ' LEU . 50.3 mt -103.83 146.25 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.77 -9.35 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -136.37 153.53 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.584 HD13 HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -147.65 168.23 22.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.84 144.91 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.57 111.35 24.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 ttm -98.16 141.99 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.1 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 m -109.02 153.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -81.12 117.97 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -110.44 140.9 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.031 HG22 HD11 ' A' ' 24' ' ' ILE . 16.2 t -94.78 112.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.508 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.7 mm -97.77 108.92 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -95.69 125.02 39.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 35.2 p90 -144.45 155.32 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mttt 69.29 8.29 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' C ' HG23 ' A' ' 20' ' ' THR . 17.0 mttp 51.02 29.49 4.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 19' ' ' LYS . 37.3 p -156.71 -52.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 60.0 mt-30 -89.42 159.53 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.49 153.26 34.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 t -137.79 138.88 39.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 14' ' ' VAL . 27.5 mm -95.79 147.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.7 m -150.05 153.43 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.88 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.512 ' C ' HG22 ' A' ' 10' ' ' THR . 0.3 OUTLIER -135.49 -178.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.54 130.88 47.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.53 20.78 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.25 -64.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.65 148.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.55 149.75 27.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 72' ' ' LEU . 6.5 mt -49.93 -32.88 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.15 -34.76 58.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.767 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.6 mm-40 -90.67 -23.24 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 39' ' ' ILE . 55.9 mt -96.07 10.3 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -68.81 -49.83 25.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.02 -41.03 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.767 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.767 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -58.73 -30.11 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.508 ' CG2' HD12 ' A' ' 15' ' ' ILE . 44.5 mt -86.39 -58.88 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.691 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -51.84 -50.1 61.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -55.09 -39.75 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 26.3 mmtt -62.11 -35.94 80.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.528 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.14 12.7 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 50.92 39.37 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -98.09 179.6 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.02 117.6 43.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.75 -49.79 73.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.73 60.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.634 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.691 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.4 m -120.79 145.64 47.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HA ' HD23 ' A' ' 52' ' ' LEU . 6.3 mt -128.01 160.01 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' A' ' 65' ' ' LEU . 83.7 mt -120.91 101.1 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 62' ' ' PRO . 1.7 mm? -92.15 156.94 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.76 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.4 mmmt -48.37 -67.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -145.85 167.87 22.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.64 -47.34 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.47 -63.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 56' ' ' ASP . 36.7 t -55.12 135.16 49.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.569 ' O ' HD12 ' A' ' 54' ' ' LEU . 3.3 pt20 -99.9 -6.44 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 126.94 92.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.04 168.5 24.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.803 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 55' ' ' LYS . 7.5 mt -108.6 178.59 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.25 108.96 18.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.705 ' CD2' HD12 ' A' ' 53' ' ' LEU . 13.2 mt -60.27 -24.63 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 p -73.27 -10.0 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 mmpp? -103.48 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -125.03 166.13 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.5 mm? -56.27 -28.5 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.78 -46.05 47.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.7 -39.78 91.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 33' ' ' LEU . 25.5 mt -75.11 -52.21 11.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.97 25.52 26.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 69' ' ' LEU . 48.7 mt -112.47 146.44 38.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -112.54 9.74 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -153.61 154.4 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.3 167.02 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -116.2 146.67 42.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.93 111.02 23.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.431 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.7 ttp -97.91 146.22 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -122.14 154.51 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.4 ptp180 -81.24 115.22 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -108.72 142.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.984 HG22 HD11 ' A' ' 24' ' ' ILE . 48.1 t -91.04 110.62 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.572 HD12 ' CG2' ' A' ' 40' ' ' ILE . 12.5 mm -100.22 97.95 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -87.88 123.55 32.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 23.4 p90 -144.56 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.758 ' O ' HG22 ' A' ' 20' ' ' THR . 0.1 OUTLIER 71.55 7.05 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.655 ' C ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER 58.22 42.59 21.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.63 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -80.44 157.31 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -149.75 150.69 32.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -138.8 148.44 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 14' ' ' VAL . 25.6 mm -102.56 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 m -143.24 154.08 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 107.09 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 39' ' ' ILE . 12.9 m -138.04 168.58 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.537 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -73.82 123.4 89.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -75.05 -56.47 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.578 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.55 146.45 27.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 12.7 mt -46.78 -32.54 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -53.81 -33.87 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.1 mm-40 -92.9 -22.94 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 28' ' ' SER . 67.0 mt -95.75 10.09 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -69.53 -50.66 18.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.421 1.748 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.797 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -55.66 -26.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.572 ' CG2' HD12 ' A' ' 15' ' ' ILE . 60.0 mt -92.71 -62.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.878 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.3 m -47.65 -45.24 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 47.6 t -52.75 -41.03 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -58.12 -44.69 87.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -96.34 16.76 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.0 mt-10 45.83 46.35 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 7.2 m-30 -99.52 170.59 8.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' THR . 22.3 p-10 -98.75 109.77 54.67 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.93 10.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 49' ' ' LEU . 9.3 mt -85.3 -37.49 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.98 42.68 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.878 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.02 140.92 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 52' ' ' LEU . 8.0 mt -113.39 168.01 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.89 HD12 HD23 ' A' ' 65' ' ' LEU . 88.2 mt -124.64 102.94 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.766 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -100.28 158.3 15.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -51.75 -59.2 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.45 -173.91 4.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD2' ' HG3' ' A' ' 58' ' ' GLN . 9.4 t80 -63.05 -24.77 68.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG3' ' CD2' ' A' ' 57' ' ' TYR . 4.4 mt-30 -128.53 83.23 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -155.08 -47.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 64.24 24.5 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.38 115.9 44.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.59 23.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -89.33 -174.59 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.42 105.32 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 53' ' ' LEU . 15.4 mt -51.09 -48.33 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.405 ' H ' HG23 ' A' ' 66' ' ' THR . 64.4 p -44.61 -39.39 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.45 165.32 25.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.48 165.17 13.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.6 mm? -53.85 -35.69 61.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.3 -48.24 57.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.39 -54.35 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.03 -54.02 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.71 25.59 13.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.11 150.96 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.87 17.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 4.8 pm0 -162.15 156.45 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.67 170.56 19.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.433 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 44.3 t80 -124.79 151.28 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.49 114.7 26.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 32.6 ttm -103.48 142.0 35.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.3 m -110.17 151.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -83.29 109.48 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.0 t -104.08 145.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.015 HG22 HD11 ' A' ' 24' ' ' ILE . 66.0 t -99.18 123.39 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 22.1 mm -108.73 94.2 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.487 ' ND2' HG12 ' A' ' 14' ' ' VAL . 20.4 m-80 -85.73 126.18 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 38.7 p90 -144.62 165.37 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER 69.8 8.53 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' C ' HG22 ' A' ' 20' ' ' THR . 40.7 mttt 60.51 37.74 19.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER 179.76 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -67.85 144.5 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 3.3 pttt -143.93 150.11 37.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 t -137.7 140.19 40.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.015 HD11 HG22 ' A' ' 14' ' ' VAL . 30.4 mm -97.64 141.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 m -144.54 153.84 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -109.25 114.67 28.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.531 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -137.37 -174.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.42 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -94.95 130.84 31.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.41 21.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -73.95 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.66 152.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.98 151.76 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 15.3 mt -51.37 -29.21 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -57.85 -34.36 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.4 mm-40 -92.37 -22.33 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 39' ' ' ILE . 82.4 mt -96.1 10.25 38.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.718 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.54 -49.95 49.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.05 -44.06 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -53.8 -35.7 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.9 mt -82.09 -64.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.717 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.2 m -43.97 -44.69 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 34.9 t -51.15 -57.4 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -36.17 62.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -94.92 17.38 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.2 mt-10 38.44 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -87.52 167.73 13.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.86 112.53 63.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 0.4 OUTLIER -65.93 -49.83 66.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -129.19 60.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.717 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -121.06 143.23 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.19 172.39 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.968 HD12 ' CD2' ' A' ' 65' ' ' LEU . 81.9 mt -132.69 103.35 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.755 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.6 164.23 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.74 -161.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.17 -38.69 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -53.62 55.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 p -83.71 179.81 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.603 ' O ' HD12 ' A' ' 54' ' ' LEU . 26.8 mt-30 -141.27 18.28 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.06 125.5 90.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.562 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.99 143.76 29.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.2 mt -95.01 168.82 10.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.08 107.41 19.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.968 ' CD2' HD12 ' A' ' 53' ' ' LEU . 15.1 mt -53.42 -40.5 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 p -51.09 -36.47 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -77.62 167.78 21.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -121.14 167.79 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.4 mm? -55.86 -30.19 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.0 -49.56 28.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.84 -42.92 94.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 mt -73.84 -58.8 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.68 28.37 10.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.7 mt -107.74 140.36 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -107.02 17.33 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 77' ' ' LEU . 2.7 tm-20 -163.86 150.05 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.427 ' CA ' ' OE2' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -153.77 170.4 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -123.68 140.35 53.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.67 114.37 28.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 ttm -100.17 143.35 30.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.412 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.5 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.465 HG11 ' HG3' ' A' ' 29' ' ' PRO . 35.0 m -117.17 161.38 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -84.85 111.09 19.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 75' ' ' ARG . 96.2 t -105.98 142.63 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.875 HG22 HD11 ' A' ' 24' ' ' ILE . 70.8 t -100.35 103.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.51 HD12 ' CG2' ' A' ' 40' ' ' ILE . 24.1 mm -85.59 119.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -112.5 125.03 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.8 p90 -142.66 154.94 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 70.84 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 28.1 mtpt 53.26 31.95 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 19' ' ' LYS . 34.9 p -156.66 -58.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -86.76 152.67 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -148.91 147.16 28.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 t -126.51 150.89 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.875 HD11 HG22 ' A' ' 14' ' ' VAL . 5.4 mm -105.82 139.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG12 ' HD2' ' A' ' 43' ' ' LYS . 25.3 m -145.44 153.69 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -108.99 107.53 17.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.505 ' HB ' HD22 ' A' ' 36' ' ' LEU . 1.9 m -131.77 169.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -84.02 132.58 47.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.465 ' HG3' HG11 ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.04 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -85.15 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.62 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.62 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.7 mt -49.75 -35.08 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -51.21 -34.86 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.869 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.7 mm-40 -90.68 -22.94 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 40' ' ' ILE . 57.9 mt -95.95 10.46 37.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -74.11 -49.82 5.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -44.01 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.869 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.6 -26.89 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.569 HD13 HD11 ' A' ' 77' ' ' LEU . 54.0 mt -90.15 -59.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.791 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.55 -49.02 57.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 108.288 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -53.77 -44.65 70.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HG12 ' A' ' 25' ' ' VAL . 21.8 mmtt -57.62 -38.33 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.99 17.99 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 44.07 37.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -92.72 167.13 12.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.07 113.4 65.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.8 -39.71 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.17 59.27 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.791 HG21 ' SG ' ' A' ' 41' ' ' CYS . 3.4 m -120.94 145.21 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 52' ' ' LEU . 7.8 mt -124.37 163.33 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 77' ' ' LEU . 90.2 mt -126.81 110.41 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.784 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.94 169.13 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.676 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -53.82 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.02 -175.94 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 58' ' ' GLN . 5.0 t80 -59.19 -15.44 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.536 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 6.6 mm-40 -138.88 90.87 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 18.1 t -160.27 -49.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 68.91 26.03 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -124.08 125.47 25.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.431 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.05 139.77 24.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 54' ' ' LEU . 1.6 mt -89.53 -179.78 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.55 108.59 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -51.59 -46.06 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.7 p -47.72 -35.35 9.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.37 -175.51 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 p -141.98 169.29 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.8 mm? -52.55 -30.95 33.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -58.21 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -41.49 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.25 -61.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.97 23.83 8.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.4 mt -109.06 155.46 20.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 13' ' ' VAL . 1.6 mmt-85 -111.88 -20.44 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 12.6 pm0 -130.14 149.71 51.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.569 HD11 HD13 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -141.95 165.91 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 86.2 t80 -116.94 144.32 44.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.69 111.14 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttm -95.68 126.63 41.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.34 158.01 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.6 ptp180 -87.84 116.91 26.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.1 145.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.967 HG22 HD11 ' A' ' 24' ' ' ILE . 54.2 t -90.42 112.56 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.566 HD12 ' CG2' ' A' ' 40' ' ' ILE . 9.7 mm -100.21 96.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.52 122.47 32.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.597 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 24.5 p90 -144.67 172.14 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.74 ' O ' HG22 ' A' ' 20' ' ' THR . 6.4 mttt 71.56 6.8 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.617 ' C ' HG22 ' A' ' 20' ' ' THR . 11.7 mttt 59.46 40.05 21.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 173.2 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.74 154.63 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.25 150.51 30.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.2 t -140.58 160.39 40.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.967 HD11 HG22 ' A' ' 14' ' ' VAL . 25.7 mm -112.04 139.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -140.09 153.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.81 109.3 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' C ' HG22 ' A' ' 10' ' ' THR . 2.6 m -136.26 176.83 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.582 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.8 t -84.31 128.38 62.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -79.7 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 147.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.71 149.35 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.2 mt -49.76 -29.66 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -56.54 -33.8 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.804 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.2 mm-40 -93.21 -24.54 18.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 28' ' ' SER . 82.5 mt -95.52 10.56 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.34 -50.17 15.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.6 Cg_endo -74.94 -42.75 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.7 mt -55.03 -36.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.566 ' CG2' HD12 ' A' ' 15' ' ' ILE . 29.2 mt -80.08 -62.16 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -46.56 -40.75 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 25.8 t -56.04 -49.47 73.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 39' ' ' ILE . 2.8 mptp? -54.63 -39.99 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 1.2 m -95.6 18.04 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' CYS . 3.7 mt-10 37.75 42.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.3 m-30 -90.18 -170.93 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -118.44 109.72 39.98 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 -48.55 67.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.72 59.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.725 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.03 135.24 55.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -109.32 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD12 ' CD2' ' A' ' 65' ' ' LEU . 95.0 mt -132.72 98.11 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.9 164.28 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' CD ' ' CD2' ' A' ' 63' ' ' LEU . 7.0 mmmt -55.78 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.93 -176.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -64.35 -23.51 67.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -131.83 86.45 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.71 -46.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 69.68 26.08 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -116.09 113.21 41.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.577 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.01 146.92 33.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.419 ' CD2' ' CD ' ' A' ' 55' ' ' LYS . 3.3 mt -92.52 171.19 9.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.12 100.79 11.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.686 ' CD2' HD12 ' A' ' 53' ' ' LEU . 5.6 mt -44.93 -53.72 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.3 p -41.45 -32.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -86.81 153.3 21.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -106.67 174.83 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.0 mm? -59.65 -31.85 69.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.66 -49.8 56.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -61.06 -53.26 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.99 -40.85 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.42 33.1 36.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.9 mt -114.16 163.1 15.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.14 1.64 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 19.0 pm0 -151.64 156.35 40.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.78 170.4 21.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.432 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 86.8 t80 -122.19 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.5 111.02 23.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.581 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.7 ttp -98.12 140.23 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.3 m -113.5 153.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 24.7 ptt85 -84.07 121.1 26.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 13.8 t -118.7 147.16 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.002 HG22 HD11 ' A' ' 24' ' ' ILE . 43.7 t -92.74 129.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.535 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.6 mm -113.93 96.08 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -84.79 124.47 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 18.4 p90 -143.72 154.62 43.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER 71.27 6.66 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' C ' HG23 ' A' ' 20' ' ' THR . 3.6 mtmp? 53.42 29.57 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.5 HG23 ' C ' ' A' ' 19' ' ' LYS . 36.4 p -156.79 -54.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.43 157.59 18.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.2 151.12 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -137.63 152.64 49.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.002 HD11 HG22 ' A' ' 14' ' ' VAL . 22.0 mm -106.03 151.18 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG12 ' HD2' ' A' ' 43' ' ' LYS . 25.8 m -150.71 153.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.36 108.11 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -130.29 177.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.35 129.57 50.92 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -85.63 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.644 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.71 155.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 m -84.93 158.99 20.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 38.0 mt -56.01 -38.3 70.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -36.38 23.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.84 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.6 mt-10 -87.6 -23.67 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 40' ' ' ILE . 67.5 mt -95.67 10.46 36.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -72.06 -50.06 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -43.61 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.63 -26.67 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.535 ' CG2' HD12 ' A' ' 15' ' ' ILE . 52.6 mt -90.81 -59.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.71 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.63 -47.39 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 33.0 t -56.29 -41.39 75.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HG12 ' A' ' 25' ' ' VAL . 15.9 mmtt -60.39 -37.82 82.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.4 15.27 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' CYS . 21.5 mt-10 44.89 43.39 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -96.35 177.8 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.88 106.58 53.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -1.29 11.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -48.71 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -129.55 60.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.57 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.71 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -120.97 138.13 54.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -112.73 169.82 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.826 HD12 ' CD2' ' A' ' 65' ' ' LEU . 80.8 mt -129.35 96.8 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.6 mm? -90.94 161.59 15.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD2' HD21 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -51.99 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.09 168.47 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.98 -40.02 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -101.67 73.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -171.01 152.56 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -122.04 23.98 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.32 115.37 63.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 142.66 27.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.583 HD21 ' HD2' ' A' ' 55' ' ' LYS . 15.6 mt -89.46 157.68 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -89.63 100.58 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.826 ' CD2' HD12 ' A' ' 53' ' ' LEU . 45.2 mt -41.45 -56.5 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 66' ' ' THR . 81.6 p -41.5 -37.42 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 4.1 mmpt? -72.79 151.65 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -106.95 161.72 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.16 -28.94 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -57.08 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -51.81 -42.18 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -73.69 -51.44 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.34 35.21 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.6 mt -121.37 156.55 32.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 1.3 tpt180 -117.82 -6.69 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -138.25 150.38 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.59 170.38 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -121.53 142.79 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.6 111.14 23.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.545 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.1 tpp -97.55 136.86 37.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.529 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.0 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.37 161.02 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.0 ptp180 -86.49 115.91 24.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 75' ' ' ARG . 76.9 t -118.99 130.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.894 HG22 HG12 ' A' ' 24' ' ' ILE . 83.6 t -89.62 134.99 27.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -112.81 107.64 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.15 116.3 22.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.1 p90 -144.76 163.67 33.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.794 ' O ' HG22 ' A' ' 20' ' ' THR . 0.3 OUTLIER 72.45 5.17 5.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.639 ' C ' HG22 ' A' ' 20' ' ' THR . 15.8 mttt 57.11 43.09 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.78 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.6 mt-30 -80.22 151.95 29.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.65 156.19 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.425 HG21 ' SG ' ' A' ' 44' ' ' CYS . 12.6 t -149.16 139.12 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.894 HG12 HG22 ' A' ' 14' ' ' VAL . 3.6 mt -100.25 147.74 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.52 153.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.48 107.78 18.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.529 ' C ' HG22 ' A' ' 10' ' ' THR . 6.0 m -137.85 179.12 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -84.32 127.01 67.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.93 20.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -77.51 -63.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.82 148.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.6 150.21 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' ALA . 30.5 mt -49.14 -32.81 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -54.4 -35.09 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.72 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.4 mp0 -90.45 -24.23 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD23 HD13 ' A' ' 39' ' ' ILE . 63.2 mt -95.45 10.3 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.56 -50.16 47.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -42.52 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.33 -28.48 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -88.41 -58.54 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.832 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -51.32 -49.0 62.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 10.1 t -56.7 -41.29 77.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -59.89 -37.33 79.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.07 20.37 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 40.56 45.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.1 m-30 -98.86 -174.28 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.41 113.79 36.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HA ' ' HB ' ' A' ' 51' ' ' THR . 18.4 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -49.7 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.832 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.4 m -121.58 130.87 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.25 171.52 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' CD2' ' A' ' 65' ' ' LEU . 56.2 mt -128.26 96.82 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 60' ' ' GLN . 1.2 mm? -93.83 151.57 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.555 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -54.65 -57.27 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.28 171.11 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD2' ' HE2' ' A' ' 19' ' ' LYS . 5.2 t80 -68.92 -14.66 63.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -105.18 -15.63 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 6.3 m -93.09 -49.99 5.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.915 ' O ' HD12 ' A' ' 54' ' ' LEU . 38.3 mm-40 77.96 -53.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -38.38 129.55 1.06 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.03 162.05 37.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -97.97 176.06 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 115.06 29.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.548 ' CD2' HD12 ' A' ' 53' ' ' LEU . 19.2 mt -61.92 -45.58 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -52.39 -27.96 17.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -89.64 172.36 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -121.98 176.3 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 69' ' ' LEU . 1.7 mm? -61.93 -31.09 71.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.89 -51.07 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.27 79.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mt -69.71 -68.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.29 30.99 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.7 mt -118.58 155.6 30.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -103.09 -25.4 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -129.43 168.82 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.75 169.02 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -119.05 134.9 54.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.75 120.64 42.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.639 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.9 tpp -105.62 143.77 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.452 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.49 152.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.73 106.01 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -103.25 140.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.119 HG22 HD11 ' A' ' 24' ' ' ILE . 60.7 t -95.04 134.11 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.458 ' HB ' HG22 ' A' ' 23' ' ' THR . 15.2 mm -118.42 94.25 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' ND2' ' OE2' ' A' ' 76' ' ' GLU . 62.1 m-80 -85.88 122.43 29.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.4 p90 -144.58 169.85 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 20' ' ' THR . 14.6 mttt 71.71 6.5 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.604 ' C ' HG22 ' A' ' 20' ' ' THR . 3.6 mttt 58.67 40.53 23.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER 175.47 -48.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.9 mm-40 -78.34 154.06 31.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -151.82 150.22 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.458 HG22 ' HB ' ' A' ' 15' ' ' ILE . 9.5 t -135.39 157.79 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.119 HD11 HG22 ' A' ' 14' ' ' VAL . 27.5 mm -114.37 136.17 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.41 HG12 ' HD2' ' A' ' 43' ' ' LYS . 19.9 m -143.8 150.07 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.503 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -97.09 131.23 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.514 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -156.34 172.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.529 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -85.24 132.7 44.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -17.13 19.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -74.82 -55.34 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.72 144.42 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.36 146.04 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 25.0 mt -46.34 -31.56 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -54.63 -35.0 62.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.735 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.6 mm-40 -90.93 -23.61 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 28' ' ' SER . 86.0 mt -95.49 10.27 37.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -68.41 -49.95 29.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.0 -43.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.68 -27.42 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.421 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.6 mt -89.79 -61.53 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.636 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -49.83 -48.7 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.272 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 23.2 t -53.57 -46.14 70.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HD2' HG12 ' A' ' 25' ' ' VAL . 18.0 mmtt -54.84 -38.82 67.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.591 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.66 20.81 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 39.29 36.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -85.59 174.14 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.44 107.45 53.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.42 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.43 -49.51 66.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.18 60.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.636 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -120.92 145.62 47.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 52' ' ' LEU . 9.9 mt -120.88 168.75 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.823 HD12 ' CD2' ' A' ' 65' ' ' LEU . 85.8 mt -126.69 103.01 7.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.62 164.18 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -54.88 -52.02 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.04 -156.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.94 -20.53 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.93 83.51 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.221 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -177.75 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 72.64 3.88 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.07 117.35 68.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.585 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.06 146.78 32.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -99.12 173.58 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 119.16 38.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.823 ' CD2' HD12 ' A' ' 53' ' ' LEU . 19.3 mt -61.73 -42.74 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -51.64 -21.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -94.6 168.09 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 p -123.99 171.89 9.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -57.65 -31.13 65.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -70.66 -48.69 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.77 -48.6 81.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.92 -48.86 64.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.9 29.49 28.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.0 mt -114.14 164.36 13.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 8.46 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE2' ' ND2' ' A' ' 16' ' ' ASN . 32.6 tt0 -144.8 144.58 31.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -155.45 170.57 21.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -126.42 152.71 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.77 113.84 22.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.8 ttm -106.38 122.61 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.27 120.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -43.86 -59.03 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.01 94.76 1.39 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -85.38 118.43 24.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.35 143.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.18 60.07 0.68 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -113.0 -174.36 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 mttp 51.94 58.91 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -119.89 149.14 42.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m -109.34 157.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -89.24 110.57 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -108.54 149.31 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 76' ' ' GLU . 9.4 t -99.55 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.3 mm -108.7 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -81.79 127.04 32.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 41.1 p90 -144.51 152.88 41.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 14.0 9.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 9.8 mttp 44.0 30.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -151.72 -52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 46.3 mt-30 -94.74 153.52 17.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.53 152.75 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -139.96 162.44 35.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.441 HG12 HG22 ' A' ' 14' ' ' VAL . 3.5 mt -118.47 141.9 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.99 155.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 108.58 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.554 HG11 ' CG2' ' A' ' 39' ' ' ILE . 8.1 m -139.56 170.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.519 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -75.06 129.8 82.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.66 20.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -70.26 -61.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.14 140.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.8 151.14 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 52.8 mt -50.86 -29.68 12.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -56.93 -34.7 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.743 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.5 mm-40 -92.66 -24.69 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' O ' ' A' ' 28' ' ' SER . 92.4 mt -94.9 10.14 36.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.733 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.18 -50.85 38.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.64 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -54.75 -30.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.48 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.6 mt -88.46 -63.24 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.788 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.4 m -45.82 -46.53 15.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 68.0 m -55.02 -46.09 75.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -57.23 -29.73 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -109.96 22.21 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 39.16 34.28 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -86.18 168.57 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 1.5 t70 -100.84 109.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.21 10.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.62 -37.17 68.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 5.6 m-70 -138.93 57.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.788 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.1 142.21 50.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.5 mt -115.98 159.65 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 84.3 mt -122.16 97.26 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.625 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.6 mm? -90.31 163.52 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.707 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.7 mmmm -51.72 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.49 170.67 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -44.88 -41.81 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -70.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.42 156.01 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 54' ' ' LEU . 13.5 mt-30 -126.33 10.74 7.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -76.71 135.36 68.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.0 144.64 30.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.707 HD21 ' HA ' ' A' ' 55' ' ' LYS . 4.3 mt -94.06 170.46 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.03 116.7 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.6 -57.29 10.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.9 p -40.11 -35.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -82.71 142.59 31.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.0 174.79 5.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -49.39 -32.44 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.17 -58.91 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.18 -40.4 67.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -71.89 -58.9 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.16 34.62 5.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -123.59 160.08 27.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.22 -12.86 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -138.55 153.97 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.35 170.26 19.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 78.8 t80 -122.18 140.52 52.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.88 111.26 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.493 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.5 ttp -96.75 144.32 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.56 106.68 17.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.651 HG23 ' N ' ' A' ' 83' ' ' ASN . 14.8 m -112.92 -139.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.651 ' N ' HG23 ' A' ' 82' ' ' VAL . 1.6 t30 -179.12 93.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.29 118.44 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -150.18 89.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.3 p -168.27 128.38 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.59 156.34 7.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.73 43.08 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -150.43 113.95 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.13 151.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.7 132.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 m -131.72 -58.48 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.36 134.99 12.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -166.03 81.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -121.8 105.06 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.93 -61.4 0.55 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.52 154.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -147.37 56.73 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.1 p -85.91 150.16 24.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.06 165.23 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 -91.13 110.86 22.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.23 145.47 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.066 HG22 HD11 ' A' ' 24' ' ' ILE . 19.9 t -96.9 135.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.512 HD12 ' CG2' ' A' ' 40' ' ' ILE . 8.1 mm -124.96 95.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -85.37 125.0 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.3 p90 -144.48 168.61 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 72.26 6.96 5.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.692 ' C ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 58.91 44.71 16.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 170.29 -48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 36.7 mt-30 -79.93 159.14 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -151.78 150.26 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.488 HG21 ' SG ' ' A' ' 44' ' ' CYS . 12.6 t -133.72 144.54 49.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.066 HD11 HG22 ' A' ' 14' ' ' VAL . 31.1 mm -103.34 139.09 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 m -141.52 152.3 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.04 111.24 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -132.86 179.35 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.14 31.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.1 19.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.21 -63.52 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.598 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.65 150.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.53 149.84 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 31.9 mt -48.05 -27.09 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.56 -34.32 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.736 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.6 mm-40 -94.05 -20.12 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 mt -94.61 0.24 55.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -57.02 -50.04 90.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.538 1.81 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.4 mt -57.47 -27.34 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.512 ' CG2' HD12 ' A' ' 15' ' ' ILE . 48.4 mt -88.66 -61.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.707 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.29 -49.48 53.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 20.6 t -53.86 -43.7 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -58.05 -39.66 78.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.88 18.6 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 42.94 42.0 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.3 m-30 -97.68 176.03 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.79 115.34 59.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.36 11.11 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.81 -49.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.627 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.707 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.9 m -120.96 135.18 55.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.513 HD12 HG11 ' A' ' 82' ' ' VAL . 4.2 mt -116.39 158.71 23.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.963 HD12 ' CD2' ' A' ' 65' ' ' LEU . 80.1 mt -122.13 102.61 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.763 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -99.32 166.8 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.515 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -54.24 -53.32 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -161.08 177.91 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -58.24 -39.92 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -65.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.0 m -54.18 168.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -138.53 21.78 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -92.96 128.48 43.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.589 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.98 138.01 22.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.619 HD11 ' O ' ' A' ' 54' ' ' LEU . 1.4 mt -88.97 167.21 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.24 103.55 15.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.963 ' CD2' HD12 ' A' ' 53' ' ' LEU . 17.0 mt -49.21 -45.42 44.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.6 p -43.06 -43.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -71.85 164.21 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -114.3 169.32 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.3 mm? -56.71 -31.01 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -73.21 -53.68 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.17 -47.4 78.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.3 -55.5 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.06 20.18 28.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.2 mt -104.25 143.83 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 18.7 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 2.9 pm0 -164.21 159.17 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.71 168.94 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -122.75 144.44 49.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.28 112.13 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.4 ttm -98.89 143.0 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.52 99.3 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.657 HG23 ' N ' ' A' ' 83' ' ' ASN . 15.7 m -102.06 -138.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.657 ' N ' HG23 ' A' ' 82' ' ' VAL . 0.6 OUTLIER -135.58 -59.71 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -176.21 120.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -109.3 158.59 17.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.5 t -142.45 111.34 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.02 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.92 157.42 17.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 77.53 3.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -124.18 132.53 53.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.22 140.63 48.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.82 142.12 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -174.38 128.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.9 68.0 1.9 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -83.76 118.95 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -151.55 137.24 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.06 126.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.62 156.89 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -134.62 115.1 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.448 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.7 p -98.98 150.44 21.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.79 154.9 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 18.7 ptt180 -82.85 113.54 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -106.82 143.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 24' ' ' ILE . 79.1 t -89.91 104.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.544 ' HB ' HG23 ' A' ' 23' ' ' THR . 14.9 mm -90.97 103.21 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -89.97 123.66 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.596 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.0 p90 -144.74 171.86 13.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.78 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER 71.38 6.34 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' C ' HG22 ' A' ' 20' ' ' THR . 7.9 mttt 60.66 32.14 20.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -178.52 -47.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -76.69 161.74 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -149.96 152.46 35.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.544 HG23 ' HB ' ' A' ' 15' ' ' ILE . 4.1 t -140.67 147.56 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.445 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.861 HD11 HG22 ' A' ' 14' ' ' VAL . 15.4 mm -100.96 140.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.0 m -142.27 153.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.6 109.04 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.457 HG12 HG21 ' A' ' 39' ' ' ILE . 1.3 m -134.38 172.96 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.07 129.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.89 16.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -86.43 -62.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.05 155.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.35 147.92 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 19.5 mt -50.56 -29.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -55.82 -34.95 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.77 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.0 mm-40 -90.5 -22.69 21.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.424 HD22 ' HB ' ' A' ' 27' ' ' VAL . 54.0 mt -94.84 9.83 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.747 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.79 -51.01 31.51 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.03 -43.71 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -55.75 -26.0 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.489 ' CG2' HD12 ' A' ' 15' ' ' ILE . 57.4 mt -92.36 -62.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.735 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -48.6 -45.23 37.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 66.6 m -54.27 -43.92 71.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.949 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -57.66 -39.19 76.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -98.11 17.05 19.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 44.94 48.61 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 8.2 m-30 -103.4 -175.47 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 0.3 OUTLIER -114.95 108.49 48.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.81 10.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.74 -36.51 73.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.438 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 5.3 m-70 -139.38 58.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.735 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.5 m -120.97 141.71 50.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.4 mt -113.56 158.34 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.874 HD12 HD23 ' A' ' 65' ' ' LEU . 80.7 mt -121.72 98.89 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -95.23 164.68 12.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -56.17 -62.87 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -147.22 179.66 7.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.36 -49.63 69.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -68.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 149.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -121.74 20.41 10.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.01 118.58 70.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.612 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.95 132.25 15.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.4 mt -80.0 159.62 26.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.19 113.02 25.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.874 HD23 HD12 ' A' ' 53' ' ' LEU . 11.2 mt -57.66 -44.2 85.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -20.49 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -93.91 165.84 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.1 171.25 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.6 mm? -54.64 -32.35 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -69.74 -57.49 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.01 -57.44 10.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.73 -57.21 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.76 28.38 9.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 69' ' ' LEU . 68.1 mt -108.69 147.94 31.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.61 -6.49 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -146.01 150.47 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.74 170.36 18.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.438 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 73.7 t80 -120.51 146.71 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.61 111.47 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.522 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.3 tpp -95.68 138.98 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.03 99.93 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 m -87.02 -34.53 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.0 t30 45.8 88.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 70.81 125.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.96 78.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.17 91.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.95 168.11 52.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.72 8.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 91' ' ' GLY . 3.1 m -144.79 -54.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m 69.45 -64.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' SER . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -68.74 115.88 8.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m -123.95 -58.4 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.99 122.6 7.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -71.39 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.96 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t 60.15 102.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.87 -177.79 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -113.07 -59.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt 46.51 56.07 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p -114.33 150.38 34.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.7 m -107.87 165.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -91.26 123.86 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -124.63 137.24 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.978 HG22 HD11 ' A' ' 24' ' ' ILE . 58.2 t -92.91 121.42 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.521 HD12 ' CG2' ' A' ' 40' ' ' ILE . 23.6 mm -103.78 94.1 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -85.54 125.76 33.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -143.66 156.56 44.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.54 9.34 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' O ' HG23 ' A' ' 20' ' ' THR . 12.5 mtmm 46.02 34.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 19' ' ' LYS . 16.0 p -156.49 -45.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.63 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 152.46 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 15' ' ' ILE . 15.3 t -131.99 159.61 38.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.397 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.978 HD11 HG22 ' A' ' 14' ' ' VAL . 19.6 mm -113.21 140.37 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG12 ' HD2' ' A' ' 43' ' ' LYS . 26.8 m -142.37 154.37 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.18 111.01 22.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.98 170.66 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.543 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -81.77 135.69 48.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.021 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.94 -22.49 14.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -66.79 -61.44 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.638 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.74 145.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p -82.08 148.36 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 46.9 mt -47.93 -31.34 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -56.27 -34.16 66.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.848 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.5 mm-40 -91.72 -22.43 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD11 ' O ' ' A' ' 28' ' ' SER . 87.5 mt -95.8 10.27 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -72.02 -49.76 9.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.0 Cg_endo -75.08 -42.83 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.18 -28.65 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.521 ' CG2' HD12 ' A' ' 15' ' ' ILE . 49.8 mt -88.79 -55.09 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.623 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -53.17 -49.19 67.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -56.27 -40.77 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HD2' HG12 ' A' ' 25' ' ' VAL . 20.7 mmtt -58.79 -40.95 85.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.3 17.44 18.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 43.23 44.95 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -96.31 -175.72 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.29 110.51 47.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.72 10.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.56 -43.23 81.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.02 59.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.623 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.8 m -121.17 135.01 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD12 HG11 ' A' ' 82' ' ' VAL . 5.3 mt -111.67 166.13 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 ' CD2' ' A' ' 65' ' ' LEU . 76.9 mt -125.8 98.4 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.794 ' O ' HD11 ' A' ' 63' ' ' LEU . 1.6 mm? -90.57 164.89 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.873 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.4 mmmm -53.1 -56.24 17.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -164.57 -176.44 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.3 -45.29 84.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.99 167.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -137.98 16.35 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -84.3 135.64 41.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.5 Cg_endo -74.96 140.52 25.65 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' A' ' 55' ' ' LYS . 3.5 mt -91.24 162.48 14.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.58 104.8 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.746 ' CD2' HD12 ' A' ' 53' ' ' LEU . 71.5 mt -43.53 -53.58 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -40.88 -39.67 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.08 138.72 39.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 p -101.36 173.22 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.6 mm? -53.0 -29.87 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -73.59 -54.71 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.9 -49.72 76.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.4 -51.68 61.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.44 18.64 56.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 69' ' ' LEU . 52.4 mt -109.24 145.96 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -110.3 -10.76 14.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -122.47 151.53 41.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.76 170.37 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -133.35 144.76 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.25 112.96 26.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 ttm -97.19 141.75 29.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.79 117.02 29.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 83' ' ' ASN . 18.1 m -119.51 -145.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.493 ' N ' HG23 ' A' ' 82' ' ' VAL . 7.4 t-20 -162.2 104.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.06 113.92 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -88.16 -60.75 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.45 157.79 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.026 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.68 -168.58 25.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 150.24 38.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.97 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -108.29 39.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 41.48 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m 59.87 167.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.21 92.79 0.2 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -101.66 -58.99 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.53 -56.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.97 -169.09 13.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -175.98 -60.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt 59.04 110.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -109.18 152.56 24.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.6 m -112.97 159.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -87.6 121.1 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 15.0 t -121.1 145.18 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.079 HG22 HD11 ' A' ' 24' ' ' ILE . 38.2 t -95.29 130.51 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.525 HD12 ' CG2' ' A' ' 40' ' ' ILE . 13.0 mm -116.32 94.11 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 19.4 p90 -144.47 167.85 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.739 ' O ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER 71.96 7.2 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.634 ' C ' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER 59.47 41.14 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 173.46 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.59 155.67 31.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 150.12 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.506 HG22 ' HB ' ' A' ' 15' ' ' ILE . 14.3 t -136.44 142.23 43.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.079 HD11 HG22 ' A' ' 14' ' ' VAL . 31.0 mm -100.46 146.19 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.43 154.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.16 108.64 19.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -127.54 -175.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.242 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.545 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -97.44 132.11 25.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.05 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -78.46 -59.13 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.95 149.83 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -83.58 154.93 23.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 51.6 mt -52.77 -34.79 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -53.18 -35.3 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.815 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.2 mm-40 -90.21 -23.32 21.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD11 ' O ' ' A' ' 28' ' ' SER . 93.5 mt -95.87 10.38 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.55 -49.67 11.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.03 -42.63 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.61 -28.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.525 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.8 mt -88.45 -60.4 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.512 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -50.62 -48.75 57.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 65.3 m -53.49 -44.9 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.51 -40.73 75.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.39 20.66 13.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 39.74 47.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.21 173.4 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -105.48 111.55 64.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.31 -49.87 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -129.21 60.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.512 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.7 m -121.06 137.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.1 mt -111.85 159.24 18.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 82.1 mt -120.79 101.59 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.795 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -102.72 161.55 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HD2' ' CB ' ' A' ' 61' ' ' GLU . 24.6 mtpt -55.04 -62.03 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.19 169.71 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.366 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.466 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 1.9 t80 -52.5 -36.25 54.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.24 158.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -128.6 13.28 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . 4.1 mt-10 -78.91 122.26 84.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.464 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.06 138.19 22.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.39 151.87 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -90.53 109.41 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 p -39.16 -33.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ASP . 3.3 mmpt? -84.01 138.8 32.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -99.46 -177.43 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 74' ' ' LEU . 1.7 mm? -61.43 -32.02 71.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.1 -48.87 40.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.19 -45.39 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.43 -70.87 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.6 9.62 11.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 69' ' ' LEU . 78.8 mt -104.32 151.31 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 2.5 tpt180 -110.77 -10.46 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -129.72 151.66 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.85 167.58 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.407 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 75.9 t80 -125.25 146.79 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.65 111.25 23.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 ttm -103.05 136.87 42.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -92.75 111.06 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.41 HG12 ' NH1' ' A' ' 84' ' ' ARG . 6.8 m -101.37 79.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -106.97 89.49 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' NH1' HG12 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -117.47 -53.0 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.71 173.74 10.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -125.75 -61.62 1.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.48 156.13 9.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 58.9 5.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.808 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.67 89.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.9 p -137.46 119.34 15.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.093 . . . . 0.0 111.042 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.19 170.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.79 161.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.39 -140.76 13.67 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 119.42 34.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -95.95 146.6 24.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.69 149.8 15.42 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -154.98 -66.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -136.39 55.35 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.8 p -129.88 152.14 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.58 156.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ptt-85 -84.55 124.11 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -119.77 143.3 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.913 HG22 HD11 ' A' ' 24' ' ' ILE . 37.7 t -89.97 112.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.693 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.0 mm -95.28 99.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -90.26 124.65 35.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 28.5 p90 -144.51 157.33 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 64.94 12.87 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 20' ' ' THR . 33.4 mtmt 44.77 31.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 19' ' ' LYS . 16.1 p -154.79 -50.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 68.1 mt-30 -94.3 154.53 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -151.17 149.97 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -137.13 158.42 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.913 HD11 HG22 ' A' ' 14' ' ' VAL . 21.9 mm -109.19 138.38 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG12 ' HG2' ' A' ' 43' ' ' LYS . 22.5 m -138.37 152.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 114.7 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.508 ' HB ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -139.25 176.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -84.53 128.49 61.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -85.16 -63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.614 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.41 156.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.68 148.92 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.506 ' CD2' HD21 ' A' ' 69' ' ' LEU . 52.4 mt -50.09 -30.42 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.86 -34.64 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.884 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -92.18 -21.98 20.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 40' ' ' ILE . 53.3 mt -96.44 10.37 38.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -75.57 -50.1 3.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -75.02 -44.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.59 -24.62 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.693 ' CG2' HD12 ' A' ' 15' ' ' ILE . 57.4 mt -93.48 -53.3 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -54.22 -39.51 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.302 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -44.02 80.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -58.79 -40.77 84.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.501 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -94.69 15.21 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 108.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 42.35 39.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -89.83 -172.45 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -121.11 112.97 32.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -64.19 -49.79 70.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -130.27 59.88 1.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.627 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.498 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.8 m -121.15 139.59 53.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -111.07 169.31 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.91 HD12 HD23 ' A' ' 65' ' ' LEU . 83.4 mt -129.68 96.89 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.3 mm? -93.63 158.93 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.51 ' CD ' HD21 ' A' ' 63' ' ' LEU . 5.5 mmmt -51.28 -57.19 9.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -158.38 -161.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -84.66 -37.43 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.63 -25.67 63.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -99.55 168.61 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -136.04 10.19 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -83.08 130.38 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.646 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.01 157.39 42.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.51 HD21 ' CD ' ' A' ' 55' ' ' LYS . 6.3 mt -107.95 167.05 10.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.34 105.67 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.91 HD23 HD12 ' A' ' 53' ' ' LEU . 12.4 mt -46.87 -50.88 17.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.2 p -40.08 -38.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 150.31 34.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -103.75 168.13 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD21 ' CD2' ' A' ' 33' ' ' LEU . 2.5 mm? -54.4 -30.37 51.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -73.46 -56.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -53.44 -40.01 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.9 mt -76.62 -61.56 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 97.39 39.46 3.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.8 141.78 47.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -3.49 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 3.5 pm0 -150.34 150.31 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.405 HD13 HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -150.13 170.46 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -124.35 143.21 50.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.73 111.02 23.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.465 ' HB2' HD23 ' A' ' 54' ' ' LEU . 5.1 ttp -99.97 152.18 20.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -113.14 116.21 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.65 -22.55 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 42.4 77.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.64 97.83 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.16 103.87 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.4 t -127.49 171.52 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.43 156.35 9.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.4 p 174.09 149.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t 45.45 91.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.98 142.02 31.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -109.33 82.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.67 123.41 1.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 m -99.62 135.83 40.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.966 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -93.48 145.83 24.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.21 -100.97 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.47 160.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -160.39 118.85 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.426 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.0 p -140.66 149.81 42.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.408 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 29.4 m -109.64 153.6 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 20.6 ptt180 -82.04 119.62 24.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.22 143.94 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.916 HG22 HD11 ' A' ' 24' ' ' ILE . 65.3 t -91.96 109.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.677 HD12 ' CG2' ' A' ' 40' ' ' ILE . 21.2 mm -93.08 96.54 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -86.72 124.41 32.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 50.5 p90 -144.6 158.85 43.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mttm 67.41 10.3 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 20' ' ' THR . 6.0 mtmt 49.97 29.87 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 19' ' ' LYS . 13.6 p -157.95 -53.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 66.4 mt-30 -86.89 157.19 19.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -151.72 150.37 30.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -137.38 143.46 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.916 HD11 HG22 ' A' ' 14' ' ' VAL . 15.0 mm -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG12 ' HG2' ' A' ' 43' ' ' LYS . 22.0 m -137.67 152.59 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.8 106.75 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.426 ' C ' HG22 ' A' ' 10' ' ' THR . 4.6 m -133.97 171.53 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -82.35 133.0 51.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.98 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.68 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.36 147.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.09 150.77 30.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.9 mt -51.23 -32.85 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.61 -34.4 50.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.803 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.4 mm-40 -92.7 -23.05 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 28' ' ' SER . 60.3 mt -95.46 10.55 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.0 -50.42 16.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.803 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.0 mt -54.92 -30.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.677 ' CG2' HD12 ' A' ' 15' ' ' ILE . 51.4 mt -88.83 -55.78 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.631 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.2 m -49.99 -45.74 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 t -52.84 -49.74 65.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HG2' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -53.89 -40.13 66.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -97.04 20.13 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 108.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 38.58 35.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -88.46 174.67 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.87 112.44 63.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.0 -49.51 67.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' A' ' 50' ' ' HIS . 0.1 OUTLIER -129.56 59.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.636 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.631 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -121.2 137.02 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.447 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.6 mt -111.8 163.82 13.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.995 HD12 ' CD2' ' A' ' 65' ' ' LEU . 82.8 mt -123.29 98.17 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.694 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.1 mm? -97.12 166.88 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HD3' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -58.13 -65.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.34 -177.83 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.93 -17.24 22.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.73 86.32 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 8.4 m -168.76 -48.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 64.74 16.18 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.47 119.12 52.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.628 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -75.01 147.25 33.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.467 ' CD2' ' HD3' ' A' ' 55' ' ' LYS . 4.1 mt -92.57 175.1 6.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.9 100.21 9.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.995 ' CD2' HD12 ' A' ' 53' ' ' LEU . 32.0 mt -47.69 -48.88 29.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 66' ' ' THR . 70.1 p -46.07 -33.48 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.9 172.93 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 p -125.13 165.38 18.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.8 mm? -52.3 -30.53 28.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.07 -52.49 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.04 -51.94 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.177 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.6 mt -65.85 -47.57 74.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.73 11.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.16 151.21 33.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' NH1' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -108.82 -17.72 13.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 24.6 pm0 -136.69 158.41 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.93 169.55 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -121.69 143.18 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.21 111.15 23.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 51' ' ' THR . 1.8 ttp -94.75 141.17 28.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.23 107.91 20.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.653 HG23 ' N ' ' A' ' 83' ' ' ASN . 14.1 m -111.16 -139.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.653 ' N ' HG23 ' A' ' 82' ' ' VAL . 30.8 m-20 -150.03 -56.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 59.87 109.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.42 -81.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -129.34 -62.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.15 -173.32 16.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 123.95 8.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.1 m -109.49 -60.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -154.46 80.74 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -127.49 120.56 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -112.88 121.61 45.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.37 131.03 4.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.71 -59.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.985 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.14 172.0 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.39 122.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.118 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.11 99.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.68 109.34 12.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.1 p -92.57 147.55 22.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 29' ' ' PRO . 24.2 m -107.37 164.5 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.65 110.11 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 69.0 t -114.0 137.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.709 HG22 ' CG1' ' A' ' 24' ' ' ILE . 69.1 t -91.4 146.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.438 HD12 ' CG2' ' A' ' 40' ' ' ILE . 13.8 mm -128.47 94.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 40.9 m-80 -83.36 118.65 23.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 23.8 p90 -144.5 168.86 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.787 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER 72.0 6.32 5.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.64 ' C ' HG22 ' A' ' 20' ' ' THR . 2.2 mtmt 57.3 43.73 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.32 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -80.68 150.06 29.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.24 154.73 36.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t -152.8 151.38 30.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.709 ' CG1' HG22 ' A' ' 14' ' ' VAL . 2.0 mt -105.95 145.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 155.02 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -103.65 110.14 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 10' ' ' THR . 2.5 m -138.62 176.7 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -86.45 132.22 43.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HG3' ' CG1' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.02 -25.09 12.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -62.99 -54.31 40.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.61 148.16 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.17 152.67 22.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 39.3 mt -51.31 -28.12 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -58.57 -37.74 76.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.734 ' O ' HD12 ' A' ' 39' ' ' ILE . 10.1 mm-40 -89.04 -23.23 22.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.532 HD11 ' O ' ' A' ' 28' ' ' SER . 93.0 mt -95.42 10.23 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.66 -50.37 35.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.3 -28.18 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' A' ' 15' ' ' ILE . 51.5 mt -89.34 -62.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.681 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -48.34 -46.32 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 59.3 m -57.29 -45.95 83.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.31 -26.78 65.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -110.57 18.48 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.75 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -100.3 -177.38 3.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.71 112.79 47.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.97 -49.71 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 59.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.681 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -120.98 133.85 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.1 mt -109.48 159.68 16.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.878 HD12 ' CD2' ' A' ' 65' ' ' LEU . 78.7 mt -122.95 103.74 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.742 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -98.54 158.35 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.693 ' HG2' HD21 ' A' ' 63' ' ' LEU . 6.7 mtpt -55.56 -47.8 75.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.94 168.19 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.25 -40.9 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -68.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.7 m -52.97 165.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -135.55 17.14 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 5.9 mt-10 -91.88 134.6 28.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.445 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.99 145.16 31.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.693 HD21 ' HG2' ' A' ' 55' ' ' LYS . 37.5 mt -91.94 148.1 22.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.47 108.96 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.878 ' CD2' HD12 ' A' ' 53' ' ' LEU . 44.4 mt -54.56 -52.15 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -28.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.84 143.74 27.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 168.94 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.7 mm? -57.76 -33.76 68.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.82 -43.99 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -65.45 -50.1 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.32 -54.17 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.01 28.75 22.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.2 mt -115.78 116.93 28.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.22 9.52 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -145.73 154.52 42.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.45 170.34 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 63.0 t80 -131.74 148.26 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.82 111.28 23.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.8 ttm -105.9 131.5 53.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -99.26 97.61 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.6 m -78.7 -34.97 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.4 t30 40.52 71.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.35 79.21 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.04 -70.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 t -168.15 172.88 8.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.87 113.95 2.3 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 141.87 27.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.38 165.59 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.77 116.86 7.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -159.81 132.07 6.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.946 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.85 160.54 14.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.13 162.44 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.72 159.51 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -163.22 134.76 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.7 134.78 8.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.96 -48.65 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 49.74 58.75 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -93.02 152.12 19.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -112.91 165.96 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -88.42 112.64 23.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.42 139.52 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.955 HG22 HD11 ' A' ' 24' ' ' ILE . 59.5 t -95.73 123.58 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mm -106.19 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -85.31 124.42 31.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 32.8 p90 -143.06 158.53 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 67.73 11.11 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' C ' HG23 ' A' ' 20' ' ' THR . 13.3 mtpt 44.52 30.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 19' ' ' LYS . 16.5 p -153.63 -47.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -99.66 160.26 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.86 156.75 42.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.624 HG21 ' SG ' ' A' ' 44' ' ' CYS . 14.8 t -144.26 141.84 30.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.955 HD11 HG22 ' A' ' 14' ' ' VAL . 4.2 mm -98.69 144.25 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.41 153.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -105.48 107.36 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.517 ' CG1' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -128.27 171.19 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.51 134.57 33.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -10.14 21.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -79.17 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.24 150.6 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.95 150.98 23.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.5 mt -47.35 -33.2 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.72 -35.46 63.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.828 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -90.07 -22.13 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD22 ' CG1' ' A' ' 27' ' ' VAL . 50.1 mt -95.66 10.28 37.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.45 -50.04 11.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -75.03 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.828 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.0 mt -55.09 -32.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' LYS . 60.4 mt -84.48 -65.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.716 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.3 m -45.05 -45.78 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 70.2 m -58.99 -39.49 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ILE . 20.0 mmtt -64.09 -24.38 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.624 ' SG ' HG21 ' A' ' 23' ' ' THR . 0.8 OUTLIER -116.98 20.49 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' CYS . 38.6 mt-10 38.79 41.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.2 m-30 -92.06 165.63 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -97.41 110.43 54.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.36 -15.88 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 50' ' ' HIS . 0.3 OUTLIER -155.46 53.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.716 HG21 ' SG ' ' A' ' 41' ' ' CYS . 5.8 m -120.07 136.16 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 52' ' ' LEU . 7.4 mt -115.78 167.46 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.749 HD12 ' CD2' ' A' ' 65' ' ' LEU . 76.9 mt -129.56 107.97 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.781 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.14 170.9 7.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 59' ' ' SER . 6.9 mmmt -55.1 -55.75 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.31 -178.41 7.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.408 ' CD1' ' HG2' ' A' ' 19' ' ' LYS . 5.8 t80 -61.13 -23.59 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.97 53.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -150.99 166.08 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -134.62 13.27 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.09 115.67 65.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 128.54 11.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -78.39 159.55 28.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.62 121.7 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.749 ' CD2' HD12 ' A' ' 53' ' ' LEU . 12.2 mt -61.56 -50.36 72.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.6 p -44.04 -33.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.21 151.1 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 p -100.92 171.74 7.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.3 mm? -58.01 -28.76 64.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -72.55 -55.06 7.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -53.78 -40.64 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.5 mt -76.96 -66.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . 99.54 35.97 4.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 69' ' ' LEU . 16.5 mt -125.17 122.49 37.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.91 -6.43 55.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -125.97 151.3 47.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.7 170.35 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.429 ' HD2' HD23 ' A' ' 54' ' ' LEU . 73.8 t80 -131.03 145.08 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.23 111.65 24.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.7 ttm -101.49 141.22 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.402 ' HB3' ' CE1' ' A' ' 50' ' ' HIS . 95.6 m-20 -100.55 114.32 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.659 HG11 ' OE1' ' A' ' 85' ' ' GLU . 12.9 m -97.0 82.68 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -48.79 -48.74 40.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -142.19 105.86 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.659 ' OE1' HG11 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -125.99 138.59 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.8 m -68.03 100.33 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.953 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.68 158.46 31.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.39 3.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.8 p -138.9 97.25 3.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.75 84.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -72.88 99.44 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.44 136.55 26.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.1 -155.17 7.44 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -176.93 159.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.975 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t 63.53 138.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.14 158.19 16.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -98.06 142.32 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 110.356 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 9.8 mtmt -154.67 56.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -120.73 151.34 39.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -112.03 150.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.5 ptt180 -79.06 113.84 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -108.55 146.96 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 24' ' ' ILE . 56.1 t -93.3 124.81 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.2 mm -113.25 94.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -85.42 124.48 32.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 40.1 p90 -144.52 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 20' ' ' THR . 3.0 mmtt 67.77 9.24 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.709 ' C ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER 58.01 46.07 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 167.88 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -75.05 150.07 39.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 153.3 41.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.443 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.3 t -144.2 150.47 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.052 HD11 HG22 ' A' ' 14' ' ' VAL . 30.8 mm -107.2 142.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 m -144.32 152.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.61 107.93 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.99 164.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.32 133.44 64.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.59 -64.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.15 153.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.7 153.19 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 9.7 mt -50.18 -28.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -58.43 -34.73 71.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.836 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.3 mm-40 -94.31 -20.7 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 40' ' ' ILE . 47.7 mt -96.96 10.27 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -71.23 -49.72 12.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -74.94 -41.0 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -59.59 -28.23 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.503 ' CG2' HD12 ' A' ' 15' ' ' ILE . 49.7 mt -87.9 -57.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.735 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -53.54 -49.45 67.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.3 t -56.57 -40.48 75.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 19.1 mmtt -58.27 -38.13 76.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.03 18.17 20.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.256 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 44.39 45.73 7.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -98.58 178.35 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 50' ' ' HIS . 0.2 OUTLIER -106.2 105.79 55.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -1.1 10.78 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.6 mp -69.71 -34.96 74.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.423 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -140.02 58.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.562 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.735 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.2 m -120.99 137.61 54.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.8 mt -113.21 160.03 18.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.849 HD12 ' CD2' ' A' ' 65' ' ' LEU . 82.9 mt -119.97 97.61 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -96.5 162.51 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.9 mmmm -52.64 -58.73 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -155.74 177.42 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.14 -48.04 74.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -62.68 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -56.42 161.34 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -130.67 11.73 5.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.53 123.92 82.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.551 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.1 Cg_endo -75.06 144.86 30.54 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.515 HD11 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -95.16 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.35 118.55 31.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.849 ' CD2' HD12 ' A' ' 53' ' ' LEU . 13.4 mt -64.37 -35.37 80.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -60.82 -14.16 20.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -103.51 147.66 26.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 p -98.68 179.64 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -65.67 -30.1 70.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.75 -49.19 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -59.36 -48.71 80.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 33' ' ' LEU . 25.0 mt -66.23 -52.26 49.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.21 28.78 10.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.25 158.07 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.71 6.33 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -152.01 164.93 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.435 HD11 HD13 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -160.66 170.48 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 89.4 t80 -122.04 142.45 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.98 111.39 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.7 ttm -96.04 141.22 29.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.27 111.74 23.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.99 67.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -93.87 -61.15 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.4 -60.59 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.0 148.64 52.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -105.02 -58.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.32 -175.26 16.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 139.3 24.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.5 t -173.24 99.35 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 t -44.46 123.05 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -109.72 153.48 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -139.17 164.44 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.48 158.44 0.64 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.84 -59.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.747 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.54 90.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 10' ' ' THR . . . -138.27 -91.17 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -169.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mttp 52.89 58.02 5.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 7' ' ' GLY . 3.5 p -101.88 147.08 26.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -105.96 154.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 14.4 ptt180 -85.12 114.06 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.79 141.26 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.031 HG22 HD11 ' A' ' 24' ' ' ILE . 30.7 t -93.28 106.92 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 40' ' ' ILE . 25.9 mm -94.96 100.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -91.51 129.29 37.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 33.2 p90 -144.38 155.02 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 69.98 7.87 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HE2' ' CE2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER 52.29 29.88 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 19' ' ' LYS . 36.0 p -155.9 -49.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 72.3 mt-30 -94.13 154.68 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 153.76 36.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -138.06 146.4 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 14' ' ' VAL . 28.0 mm -100.98 144.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -143.3 153.35 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -112.66 110.88 21.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.57 HG11 HG21 ' A' ' 39' ' ' ILE . 3.1 m -139.66 172.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 130.33 73.24 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.89 21.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -72.19 -63.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.77 143.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -77.97 149.99 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 26.0 mt -49.53 -29.81 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -55.27 -34.97 64.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.787 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.9 mm-40 -91.76 -22.05 20.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.75 7.51 46.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -67.77 -49.37 38.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.1 Cg_endo -74.98 -43.93 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -55.02 -35.67 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 15' ' ' ILE . 43.8 mt -80.69 -62.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.556 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -46.36 -48.94 18.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 43.5 t -51.75 -54.06 32.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -52.95 -34.93 57.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -100.18 20.36 14.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.338 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' CYS . 5.8 mt-10 38.09 35.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -93.84 163.11 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.06 112.83 62.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -46.91 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.03 58.57 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.554 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.556 HG21 ' SG ' ' A' ' 41' ' ' CYS . 3.8 m -113.23 146.77 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 52' ' ' LEU . 5.6 mt -123.04 160.62 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.528 HD22 HD13 ' A' ' 77' ' ' LEU . 94.3 mt -122.18 104.77 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.779 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -98.83 164.85 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.721 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -52.48 -64.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.3 -173.3 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 3.4 t80 -59.96 -40.11 87.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -73.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -55.75 166.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -135.54 14.23 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 134.13 61.21 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.02 138.59 23.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.779 HD11 ' O ' ' A' ' 54' ' ' LEU . 3.6 mt -91.04 158.38 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.08 123.87 36.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD23 HD12 ' A' ' 53' ' ' LEU . 15.5 mt -58.46 -57.81 11.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -39.6 -31.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' HG2' HG23 ' A' ' 66' ' ' THR . 0.2 OUTLIER -84.22 142.57 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -110.38 170.8 7.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.5 mm? -49.73 -29.59 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -73.45 -51.27 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -52.0 66.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.61 -52.69 56.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.91 22.44 30.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 69' ' ' LEU . 74.6 mt -106.31 159.52 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -123.89 11.07 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -154.23 152.87 30.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.528 HD13 HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -156.69 169.78 23.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -125.38 147.72 49.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.95 111.32 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.44 ' SD ' ' CG1' ' A' ' 82' ' ' VAL . 28.6 ttm -100.4 133.36 44.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -92.55 105.29 17.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.663 HG23 ' N ' ' A' ' 83' ' ' ASN . 14.2 m -112.17 -139.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.663 ' N ' HG23 ' A' ' 82' ' ' VAL . 4.3 p-10 -151.15 117.27 5.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.85 93.7 4.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 67.1 -80.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.14 159.56 41.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.5 -145.91 10.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 90.74 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.8 t -150.2 -57.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 p -158.72 -58.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -153.68 98.74 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -45.46 -27.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.59 122.8 5.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -154.2 167.97 28.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.89 92.85 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.21 -128.6 3.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 59.84 154.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.2 110.64 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' VAL . 2.2 p -86.84 152.73 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.59 155.67 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 13.9 ptp180 -85.06 115.64 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -107.4 144.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.059 HG22 HD11 ' A' ' 24' ' ' ILE . 71.7 t -94.12 116.48 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.519 HD12 ' CG2' ' A' ' 40' ' ' ILE . 21.4 mm -104.39 99.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.54 123.18 32.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 21.4 p90 -144.44 170.66 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 20' ' ' THR . 7.3 mttt 71.32 6.94 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.602 ' C ' HG22 ' A' ' 20' ' ' THR . 13.4 mttt 58.93 39.47 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 175.04 -46.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.372 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 16.6 mt-30 -78.68 154.49 30.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.85 149.8 31.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' HB ' ' A' ' 15' ' ' ILE . 9.9 t -136.35 163.13 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 HG22 ' A' ' 14' ' ' VAL . 28.7 mm -115.84 145.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG12 ' HD2' ' A' ' 43' ' ' LYS . 23.7 m -146.48 153.21 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -111.91 109.9 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.673 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -135.52 -177.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.436 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -88.64 126.58 59.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -87.19 -48.81 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.19 153.26 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 146.68 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 50.7 mt -47.41 -36.17 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.78 -35.65 32.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.812 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.3 mm-40 -89.77 -22.93 21.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 40' ' ' ILE . 92.2 mt -95.44 10.35 36.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.728 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.06 -50.23 16.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.728 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.812 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -56.26 -31.56 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 77' ' ' LEU . 44.6 mt -85.49 -60.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.51 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -49.39 -52.13 30.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 67.0 m -51.95 -48.78 64.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HD2' HG12 ' A' ' 25' ' ' VAL . 25.5 mmtt -51.55 -39.41 57.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.51 22.99 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 38.9 46.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.4 m-30 -102.0 169.91 8.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.79 114.34 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.19 9.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.02 -49.74 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 60.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.51 HG21 ' SG ' ' A' ' 41' ' ' CYS . 18.1 m -121.08 148.64 43.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.7 mt -124.1 168.26 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.806 HD12 ' CD2' ' A' ' 65' ' ' LEU . 95.3 mt -129.64 100.69 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.797 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -103.75 164.39 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -59.38 -50.77 72.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -155.06 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.87 -35.99 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -70.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -40.45 152.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -123.57 25.33 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.57 118.47 63.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -74.98 137.95 22.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 53' ' ' LEU . 3.1 mt -80.78 158.24 25.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 109.38 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.806 ' CD2' HD12 ' A' ' 53' ' ' LEU . 16.7 mt -56.27 -37.62 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -61.83 -13.31 22.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -99.46 178.9 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 p -130.44 162.8 28.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 74' ' ' LEU . 3.1 mm? -50.01 -31.21 12.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.37 -55.64 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.28 -42.61 66.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.9 -67.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.75 16.47 9.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 69' ' ' LEU . 50.3 mt -103.83 146.25 28.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.77 -9.35 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -136.37 153.53 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.584 HD13 HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -147.65 168.23 22.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.84 144.91 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.57 111.35 24.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 ttm -98.16 141.99 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.36 110.99 23.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.6 m -102.59 72.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.06 79.17 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.72 90.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 62.16 117.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.5 t -133.83 108.88 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.23 156.73 24.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 171.18 18.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.53 80.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 m -155.9 152.93 28.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.36 -58.4 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -89.58 147.63 23.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.36 63.9 3.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.64 108.73 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -122.84 100.29 6.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.54 126.73 3.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.33 95.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -119.1 58.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.1 p -118.38 150.83 38.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 m -109.02 153.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -81.12 117.97 22.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -110.44 140.9 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.031 HG22 HD11 ' A' ' 24' ' ' ILE . 16.2 t -94.78 112.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.508 HD12 ' CG2' ' A' ' 40' ' ' ILE . 22.7 mm -97.77 108.92 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -95.69 125.02 39.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 21' ' ' GLN . 35.2 p90 -144.45 155.32 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mttt 69.29 8.29 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' C ' HG23 ' A' ' 20' ' ' THR . 17.0 mttp 51.02 29.49 4.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 19' ' ' LYS . 37.3 p -156.71 -52.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 60.0 mt-30 -89.42 159.53 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.49 153.26 34.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 t -137.79 138.88 39.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 14' ' ' VAL . 27.5 mm -95.79 147.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.7 m -150.05 153.43 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.88 22.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.512 ' C ' HG22 ' A' ' 10' ' ' THR . 0.3 OUTLIER -135.49 -178.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.54 130.88 47.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.53 20.78 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.25 -64.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.626 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.65 148.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.55 149.75 27.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 72' ' ' LEU . 6.5 mt -49.93 -32.88 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.15 -34.76 58.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.767 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.6 mm-40 -90.67 -23.24 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 39' ' ' ILE . 55.9 mt -96.07 10.3 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -68.81 -49.83 25.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.02 -41.03 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.767 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.767 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -58.73 -30.11 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.508 ' CG2' HD12 ' A' ' 15' ' ' ILE . 44.5 mt -86.39 -58.88 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.691 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -51.84 -50.1 61.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -55.09 -39.75 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' ILE . 26.3 mmtt -62.11 -35.94 80.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.528 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -99.14 12.7 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 50.92 39.37 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -98.09 179.6 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.02 117.6 43.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.75 -49.79 73.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.73 60.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.634 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.691 HG21 ' SG ' ' A' ' 41' ' ' CYS . 2.4 m -120.79 145.64 47.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HA ' HD23 ' A' ' 52' ' ' LEU . 6.3 mt -128.01 160.01 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' A' ' 65' ' ' LEU . 83.7 mt -120.91 101.1 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 62' ' ' PRO . 1.7 mm? -92.15 156.94 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.76 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.4 mmmt -48.37 -67.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -145.85 167.87 22.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.64 -47.34 14.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.47 -63.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 56' ' ' ASP . 36.7 t -55.12 135.16 49.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.569 ' O ' HD12 ' A' ' 54' ' ' LEU . 3.3 pt20 -99.9 -6.44 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 126.94 92.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.04 168.5 24.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.803 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 55' ' ' LYS . 7.5 mt -108.6 178.59 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.25 108.96 18.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.705 ' CD2' HD12 ' A' ' 53' ' ' LEU . 13.2 mt -60.27 -24.63 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 p -73.27 -10.0 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 mmpp? -103.48 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 p -125.03 166.13 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 74' ' ' LEU . 2.5 mm? -56.27 -28.5 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.78 -46.05 47.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.7 -39.78 91.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 33' ' ' LEU . 25.5 mt -75.11 -52.21 11.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.97 25.52 26.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 69' ' ' LEU . 48.7 mt -112.47 146.44 38.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -112.54 9.74 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -153.61 154.4 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.3 167.02 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -116.2 146.67 42.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.93 111.02 23.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.431 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.7 ttp -97.91 146.22 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.31 108.87 20.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.659 HG23 ' N ' ' A' ' 83' ' ' ASN . 14.4 m -111.61 -139.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.659 ' N ' HG23 ' A' ' 82' ' ' VAL . 7.7 t30 -175.55 96.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -167.1 -67.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -171.47 178.04 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.1 m -86.42 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.91 153.5 24.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.71 3.17 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.59 104.52 15.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.9 p -117.84 88.27 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.09 101.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -161.58 132.47 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.92 93.08 0.12 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -150.83 101.21 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -69.1 155.38 40.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.025 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.2 92.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -79.33 73.74 5.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -111.65 60.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -119.51 156.8 29.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -122.14 154.51 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.4 ptp180 -81.24 115.22 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -108.72 142.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.984 HG22 HD11 ' A' ' 24' ' ' ILE . 48.1 t -91.04 110.62 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.572 HD12 ' CG2' ' A' ' 40' ' ' ILE . 12.5 mm -100.22 97.95 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -87.88 123.55 32.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 23.4 p90 -144.56 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.758 ' O ' HG22 ' A' ' 20' ' ' THR . 0.1 OUTLIER 71.55 7.05 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.655 ' C ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER 58.22 42.59 21.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.63 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -80.44 157.31 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -149.75 150.69 32.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -138.8 148.44 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 14' ' ' VAL . 25.6 mm -102.56 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 m -143.24 154.08 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 107.09 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 39' ' ' ILE . 12.9 m -138.04 168.58 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.537 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -73.82 123.4 89.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -75.05 -56.47 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.578 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.55 146.45 27.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 12.7 mt -46.78 -32.54 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -53.81 -33.87 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.1 mm-40 -92.9 -22.94 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 28' ' ' SER . 67.0 mt -95.75 10.09 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -69.53 -50.66 18.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.2 Cg_endo -74.98 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.421 1.748 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.797 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.1 mt -55.66 -26.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.572 ' CG2' HD12 ' A' ' 15' ' ' ILE . 60.0 mt -92.71 -62.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.878 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.3 m -47.65 -45.24 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 47.6 t -52.75 -41.03 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -58.12 -44.69 87.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -96.34 16.76 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.0 mt-10 45.83 46.35 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 44' ' ' CYS . 7.2 m-30 -99.52 170.59 8.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' THR . 22.3 p-10 -98.75 109.77 54.67 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.93 10.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 49' ' ' LEU . 9.3 mt -85.3 -37.49 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -124.98 42.68 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.878 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.02 140.92 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 52' ' ' LEU . 8.0 mt -113.39 168.01 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.89 HD12 HD23 ' A' ' 65' ' ' LEU . 88.2 mt -124.64 102.94 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.766 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -100.28 158.3 15.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -51.75 -59.2 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.45 -173.91 4.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD2' ' HG3' ' A' ' 58' ' ' GLN . 9.4 t80 -63.05 -24.77 68.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG3' ' CD2' ' A' ' 57' ' ' TYR . 4.4 mt-30 -128.53 83.23 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -155.08 -47.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 64.24 24.5 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.38 115.9 44.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.59 23.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -89.33 -174.59 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.42 105.32 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 53' ' ' LEU . 15.4 mt -51.09 -48.33 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.405 ' H ' HG23 ' A' ' 66' ' ' THR . 64.4 p -44.61 -39.39 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -73.45 165.32 25.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.48 165.17 13.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.6 mm? -53.85 -35.69 61.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.3 -48.24 57.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.39 -54.35 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.03 -54.02 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.71 25.59 13.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.11 150.96 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.87 17.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 4.8 pm0 -162.15 156.45 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.67 170.56 19.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.433 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 44.3 t80 -124.79 151.28 45.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.49 114.7 26.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 32.6 ttm -103.48 142.0 35.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -97.32 112.88 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.611 HG23 ' N ' ' A' ' 83' ' ' ASN . 17.2 m -120.38 -140.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.611 ' N ' HG23 ' A' ' 82' ' ' VAL . 3.4 t-20 179.66 129.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -171.51 111.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.49 139.0 32.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.37 122.9 8.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 145.47 152.55 5.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.128 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -59.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.3 p -122.77 168.3 12.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m 62.49 135.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -98.18 119.83 37.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -42.62 148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.06 -172.75 27.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -65.15 -59.22 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.26 97.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.956 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.52 -146.99 3.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.74 145.07 27.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -160.42 109.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -96.37 149.57 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.3 m -110.17 151.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -83.29 109.48 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.0 t -104.08 145.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.015 HG22 HD11 ' A' ' 24' ' ' ILE . 66.0 t -99.18 123.39 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 22.1 mm -108.73 94.2 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.487 ' ND2' HG12 ' A' ' 14' ' ' VAL . 20.4 m-80 -85.73 126.18 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 38.7 p90 -144.62 165.37 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER 69.8 8.53 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' C ' HG22 ' A' ' 20' ' ' THR . 40.7 mttt 60.51 37.74 19.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER 179.76 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.371 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -67.85 144.5 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 3.3 pttt -143.93 150.11 37.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 t -137.7 140.19 40.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.015 HD11 HG22 ' A' ' 14' ' ' VAL . 30.4 mm -97.64 141.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 m -144.54 153.84 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -109.25 114.67 28.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.531 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -137.37 -174.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.42 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -94.95 130.84 31.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.41 21.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -73.95 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.66 152.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.98 151.76 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 15.3 mt -51.37 -29.21 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -57.85 -34.36 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.4 mm-40 -92.37 -22.33 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 39' ' ' ILE . 82.4 mt -96.1 10.25 38.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.718 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.54 -49.95 49.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.05 -44.06 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.9 mt -53.8 -35.7 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.9 mt -82.09 -64.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.717 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.2 m -43.97 -44.69 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 34.9 t -51.15 -57.4 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -36.17 62.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -94.92 17.38 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.2 mt-10 38.44 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.6 m-30 -87.52 167.73 13.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.86 112.53 63.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 0.4 OUTLIER -65.93 -49.83 66.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -129.19 60.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.717 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -121.06 143.23 49.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.516 HD12 HG11 ' A' ' 82' ' ' VAL . 3.7 mt -117.19 172.39 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.968 HD12 ' CD2' ' A' ' 65' ' ' LEU . 81.9 mt -132.69 103.35 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.755 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.6 164.23 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.74 -161.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.17 -38.69 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -53.62 55.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 p -83.71 179.81 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.603 ' O ' HD12 ' A' ' 54' ' ' LEU . 26.8 mt-30 -141.27 18.28 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.06 125.5 90.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.562 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -74.99 143.76 29.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.2 mt -95.01 168.82 10.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.08 107.41 19.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.968 ' CD2' HD12 ' A' ' 53' ' ' LEU . 15.1 mt -53.42 -40.5 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 p -51.09 -36.47 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -77.62 167.78 21.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -121.14 167.79 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.4 mm? -55.86 -30.19 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.0 -49.56 28.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.84 -42.92 94.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 mt -73.84 -58.8 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.68 28.37 10.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.7 mt -107.74 140.36 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -107.02 17.33 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' CA ' ' A' ' 77' ' ' LEU . 2.7 tm-20 -163.86 150.05 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.427 ' CA ' ' OE2' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -153.77 170.4 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -123.68 140.35 53.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.67 114.37 28.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 ttm -100.17 143.35 30.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.49 108.05 20.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 82' ' ' VAL . 33.3 m -109.99 70.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -110.69 93.77 4.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.21 -51.78 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.8 144.56 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -84.73 150.8 24.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.15 115.51 0.42 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.462 1.769 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 t 58.1 103.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.8 p -150.75 124.12 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.018 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.155 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t 61.84 91.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -112.02 -58.58 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.91 -67.53 2.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -67.0 146.17 54.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m 62.17 142.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.23 158.51 11.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.32 163.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -92.32 47.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.412 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.5 p -87.05 154.53 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.465 HG11 ' HG3' ' A' ' 29' ' ' PRO . 35.0 m -117.17 161.38 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -84.85 111.09 19.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 75' ' ' ARG . 96.2 t -105.98 142.63 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.875 HG22 HD11 ' A' ' 24' ' ' ILE . 70.8 t -100.35 103.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.51 HD12 ' CG2' ' A' ' 40' ' ' ILE . 24.1 mm -85.59 119.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -112.5 125.03 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.8 p90 -142.66 154.94 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 70.84 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 28.1 mtpt 53.26 31.95 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 19' ' ' LYS . 34.9 p -156.66 -58.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -86.76 152.67 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -148.91 147.16 28.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 t -126.51 150.89 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.875 HD11 HG22 ' A' ' 14' ' ' VAL . 5.4 mm -105.82 139.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG12 ' HD2' ' A' ' 43' ' ' LYS . 25.3 m -145.44 153.69 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -108.99 107.53 17.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.505 ' HB ' HD22 ' A' ' 36' ' ' LEU . 1.9 m -131.77 169.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -84.02 132.58 47.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.465 ' HG3' HG11 ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.04 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -85.15 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.62 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.62 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.7 mt -49.75 -35.08 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -51.21 -34.86 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.869 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.7 mm-40 -90.68 -22.94 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 40' ' ' ILE . 57.9 mt -95.95 10.46 37.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -74.11 -49.82 5.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -44.01 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.869 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.6 -26.89 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.569 HD13 HD11 ' A' ' 77' ' ' LEU . 54.0 mt -90.15 -59.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.791 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.55 -49.02 57.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 108.288 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 36.8 t -53.77 -44.65 70.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HG12 ' A' ' 25' ' ' VAL . 21.8 mmtt -57.62 -38.33 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.99 17.99 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 44.07 37.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -92.72 167.13 12.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.07 113.4 65.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.11 10.8 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.8 -39.71 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -136.17 59.27 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.791 HG21 ' SG ' ' A' ' 41' ' ' CYS . 3.4 m -120.94 145.21 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 52' ' ' LEU . 7.8 mt -124.37 163.33 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 77' ' ' LEU . 90.2 mt -126.81 110.41 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.784 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -101.94 169.13 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.676 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 mmmm -53.82 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.02 -175.94 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 58' ' ' GLN . 5.0 t80 -59.19 -15.44 14.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.536 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 6.6 mm-40 -138.88 90.87 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 18.1 t -160.27 -49.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 68.91 26.03 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -124.08 125.47 25.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.431 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.05 139.77 24.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 54' ' ' LEU . 1.6 mt -89.53 -179.78 5.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.55 108.59 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -51.59 -46.06 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.7 p -47.72 -35.35 9.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.37 -175.51 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.175 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 p -141.98 169.29 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.8 mm? -52.55 -30.95 33.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -58.21 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -41.49 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.25 -61.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.97 23.83 8.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.4 mt -109.06 155.46 20.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 13' ' ' VAL . 1.6 mmt-85 -111.88 -20.44 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 12.6 pm0 -130.14 149.71 51.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.569 HD11 HD13 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -141.95 165.91 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 86.2 t80 -116.94 144.32 44.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.69 111.14 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttm -95.68 126.63 41.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.55 109.82 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 50' ' ' HIS . 7.1 m -94.45 -34.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 47.61 84.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.405 ' H ' ' CG ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER 71.46 126.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' OE2' ' CB ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -158.98 -44.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.436 ' CB ' ' OE2' ' A' ' 85' ' ' GLU . 33.4 p -113.33 -53.39 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.04 -163.99 25.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.27 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.52 94.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.03 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 t -116.17 168.49 10.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -116.49 138.26 51.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m 61.07 108.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.65 69.99 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -83.63 -55.45 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 71.0 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.02 -150.42 7.64 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -104.18 87.17 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -121.38 56.58 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.1 p -102.03 152.16 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.34 158.01 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 19.6 ptp180 -87.84 116.91 26.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.1 145.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.967 HG22 HD11 ' A' ' 24' ' ' ILE . 54.2 t -90.42 112.56 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.566 HD12 ' CG2' ' A' ' 40' ' ' ILE . 9.7 mm -100.21 96.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.52 122.47 32.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.597 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 24.5 p90 -144.67 172.14 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.74 ' O ' HG22 ' A' ' 20' ' ' THR . 6.4 mttt 71.56 6.8 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.617 ' C ' HG22 ' A' ' 20' ' ' THR . 11.7 mttt 59.46 40.05 21.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 173.2 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.74 154.63 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.25 150.51 30.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.2 t -140.58 160.39 40.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.967 HD11 HG22 ' A' ' 14' ' ' VAL . 25.7 mm -112.04 139.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -140.09 153.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.81 109.3 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' C ' HG22 ' A' ' 10' ' ' THR . 2.6 m -136.26 176.83 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.582 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.8 t -84.31 128.38 62.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -79.7 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 147.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.71 149.35 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.2 mt -49.76 -29.66 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -56.54 -33.8 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.804 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.2 mm-40 -93.21 -24.54 18.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 28' ' ' SER . 82.5 mt -95.52 10.56 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.34 -50.17 15.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.6 Cg_endo -74.94 -42.75 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 35' ' ' GLU . 2.7 mt -55.03 -36.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.566 ' CG2' HD12 ' A' ' 15' ' ' ILE . 29.2 mt -80.08 -62.16 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -46.56 -40.75 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 25.8 t -56.04 -49.47 73.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 39' ' ' ILE . 2.8 mptp? -54.63 -39.99 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 1.2 m -95.6 18.04 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' CYS . 3.7 mt-10 37.75 42.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.3 m-30 -90.18 -170.93 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -118.44 109.72 39.98 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 -48.55 67.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.72 59.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.725 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -121.03 135.24 55.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -109.32 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD12 ' CD2' ' A' ' 65' ' ' LEU . 95.0 mt -132.72 98.11 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.9 164.28 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' CD ' ' CD2' ' A' ' 63' ' ' LEU . 7.0 mmmt -55.78 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.93 -176.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -64.35 -23.51 67.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -131.83 86.45 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.71 -46.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 69.68 26.08 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -116.09 113.21 41.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.577 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.01 146.92 33.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' CD2' ' CD ' ' A' ' 55' ' ' LYS . 3.3 mt -92.52 171.19 9.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.12 100.79 11.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.686 ' CD2' HD12 ' A' ' 53' ' ' LEU . 5.6 mt -44.93 -53.72 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.3 p -41.45 -32.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -86.81 153.3 21.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -106.67 174.83 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.0 mm? -59.65 -31.85 69.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.66 -49.8 56.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -61.06 -53.26 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.99 -40.85 95.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.42 33.1 36.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.9 mt -114.16 163.1 15.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.14 1.64 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 19.0 pm0 -151.64 156.35 40.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.78 170.4 21.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.432 ' OH ' ' CG ' ' A' ' 19' ' ' LYS . 86.8 t80 -122.19 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.5 111.02 23.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.581 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.7 ttp -98.12 140.23 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -110.05 102.77 11.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.409 ' H ' HG22 ' A' ' 82' ' ' VAL . 5.5 m -79.39 -31.7 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 17.9 t30 51.25 66.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -141.61 -71.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.14 -59.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.9 m 45.09 91.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.78 116.96 1.46 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.04 25.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.1 m -158.94 132.46 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 t -76.36 134.74 39.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -125.04 135.47 52.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -95.58 102.23 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.38 -168.25 11.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t -138.03 86.18 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t 62.55 112.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.56 140.59 6.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.35 39.34 3.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -81.27 55.78 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -109.07 154.65 21.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.3 m -113.5 153.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 24.7 ptt85 -84.07 121.1 26.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 13.8 t -118.7 147.16 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.002 HG22 HD11 ' A' ' 24' ' ' ILE . 43.7 t -92.74 129.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.535 HD12 ' CG2' ' A' ' 40' ' ' ILE . 18.6 mm -113.93 96.08 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -84.79 124.47 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 18.4 p90 -143.72 154.62 43.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER 71.27 6.66 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' C ' HG23 ' A' ' 20' ' ' THR . 3.6 mtmp? 53.42 29.57 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.5 HG23 ' C ' ' A' ' 19' ' ' LYS . 36.4 p -156.79 -54.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.43 157.59 18.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.2 151.12 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -137.63 152.64 49.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.002 HD11 HG22 ' A' ' 14' ' ' VAL . 22.0 mm -106.03 151.18 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG12 ' HD2' ' A' ' 43' ' ' LYS . 25.8 m -150.71 153.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.36 108.11 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -130.29 177.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.35 129.57 50.92 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -85.63 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.644 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.71 155.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 m -84.93 158.99 20.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 38.0 mt -56.01 -38.3 70.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -36.38 23.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.84 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.6 mt-10 -87.6 -23.67 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 40' ' ' ILE . 67.5 mt -95.67 10.46 36.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -72.06 -50.06 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -75.01 -43.61 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.63 -26.67 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.535 ' CG2' HD12 ' A' ' 15' ' ' ILE . 52.6 mt -90.81 -59.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.71 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -50.63 -47.39 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 33.0 t -56.29 -41.39 75.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HG12 ' A' ' 25' ' ' VAL . 15.9 mmtt -60.39 -37.82 82.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.4 15.27 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' CYS . 21.5 mt-10 44.89 43.39 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 1.8 m-30 -96.35 177.8 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.88 106.58 53.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -1.29 11.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -48.71 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -129.55 60.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.57 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.71 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.3 m -120.97 138.13 54.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.5 HD12 HG11 ' A' ' 82' ' ' VAL . 4.7 mt -112.73 169.82 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.826 HD12 ' CD2' ' A' ' 65' ' ' LEU . 80.8 mt -129.35 96.8 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 54' ' ' LEU . 1.6 mm? -90.94 161.59 15.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD2' HD21 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -51.99 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.09 168.47 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.98 -40.02 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -101.67 73.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -171.01 152.56 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -122.04 23.98 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.32 115.37 63.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 142.66 27.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.583 HD21 ' HD2' ' A' ' 55' ' ' LYS . 15.6 mt -89.46 157.68 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -89.63 100.58 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.826 ' CD2' HD12 ' A' ' 53' ' ' LEU . 45.2 mt -41.45 -56.5 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 66' ' ' THR . 81.6 p -41.5 -37.42 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 4.1 mmpt? -72.79 151.65 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -106.95 161.72 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.16 -28.94 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -57.08 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -51.81 -42.18 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -73.69 -51.44 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.34 35.21 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.6 mt -121.37 156.55 32.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 1.3 tpt180 -117.82 -6.69 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -138.25 150.38 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.59 170.38 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -121.53 142.79 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.6 111.14 23.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.545 ' HB2' HD23 ' A' ' 54' ' ' LEU . 2.1 tpp -97.55 136.86 37.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -101.67 97.51 7.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.5 HG11 HD12 ' A' ' 52' ' ' LEU . 22.9 m -82.63 -47.85 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.449 ' N ' HG23 ' A' ' 82' ' ' VAL . 74.7 m-20 39.35 82.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.15 106.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.73 158.83 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -163.31 108.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.48 177.47 44.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.09 3.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.7 p -169.0 -57.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.5 p -159.29 101.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -84.25 109.95 18.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.54 153.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.17 139.02 4.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.31 101.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.19 113.67 24.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.07 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 168.73 24.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.74 130.4 55.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -146.12 55.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.529 HG22 ' C ' ' A' ' 27' ' ' VAL . 2.0 p -85.79 152.29 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.37 161.02 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 12.0 ptp180 -86.49 115.91 24.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 75' ' ' ARG . 76.9 t -118.99 130.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.894 HG22 HG12 ' A' ' 24' ' ' ILE . 83.6 t -89.62 134.99 27.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -112.81 107.64 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.15 116.3 22.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.592 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 25.1 p90 -144.76 163.67 33.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.794 ' O ' HG22 ' A' ' 20' ' ' THR . 0.3 OUTLIER 72.45 5.17 5.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.639 ' C ' HG22 ' A' ' 20' ' ' THR . 15.8 mttt 57.11 43.09 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER 171.78 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.6 mt-30 -80.22 151.95 29.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.65 156.19 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.425 HG21 ' SG ' ' A' ' 44' ' ' CYS . 12.6 t -149.16 139.12 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.894 HG12 HG22 ' A' ' 14' ' ' VAL . 3.6 mt -100.25 147.74 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.52 153.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.48 107.78 18.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.529 ' C ' HG22 ' A' ' 10' ' ' THR . 6.0 m -137.85 179.12 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -84.32 127.01 67.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.93 20.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -77.51 -63.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.82 148.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.6 150.21 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' ALA . 30.5 mt -49.14 -32.81 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -54.4 -35.09 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.72 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.4 mp0 -90.45 -24.23 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD23 HD13 ' A' ' 39' ' ' ILE . 63.2 mt -95.45 10.3 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.56 -50.16 47.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.3 Cg_endo -74.97 -42.52 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -57.33 -28.48 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -88.41 -58.54 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.832 ' SG ' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -51.32 -49.0 62.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 10.1 t -56.7 -41.29 77.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -59.89 -37.33 79.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.07 20.37 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 40.56 45.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 17' ' ' PHE . 2.1 m-30 -98.86 -174.28 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.41 113.79 36.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HA ' ' HB ' ' A' ' 51' ' ' THR . 18.4 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -49.7 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.832 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.4 m -121.58 130.87 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.25 171.52 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' CD2' ' A' ' 65' ' ' LEU . 56.2 mt -128.26 96.82 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 60' ' ' GLN . 1.2 mm? -93.83 151.57 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.555 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -54.65 -57.27 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.28 171.11 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD2' ' HE2' ' A' ' 19' ' ' LYS . 5.2 t80 -68.92 -14.66 63.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -105.18 -15.63 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 55' ' ' LYS . 6.3 m -93.09 -49.99 5.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.915 ' O ' HD12 ' A' ' 54' ' ' LEU . 38.3 mm-40 77.96 -53.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -38.38 129.55 1.06 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.03 162.05 37.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -97.97 176.06 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 115.06 29.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.548 ' CD2' HD12 ' A' ' 53' ' ' LEU . 19.2 mt -61.92 -45.58 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -52.39 -27.96 17.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -89.64 172.36 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 p -121.98 176.3 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 69' ' ' LEU . 1.7 mm? -61.93 -31.09 71.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.89 -51.07 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.27 79.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mt -69.71 -68.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.29 30.99 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.7 mt -118.58 155.6 30.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -103.09 -25.4 13.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -129.43 168.82 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.75 169.02 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -119.05 134.9 54.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.75 120.64 42.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.639 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.9 tpp -105.62 143.77 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.92 105.29 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.661 HG23 ' N ' ' A' ' 83' ' ' ASN . 15.4 m -101.5 -138.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.661 ' N ' HG23 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -135.48 -50.15 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.81 102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.79 91.48 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.7 m -169.23 115.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.63 163.89 46.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -58.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.4 p -175.79 162.46 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.4 p -90.81 132.0 36.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -161.34 -56.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.13 102.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.58 -176.85 40.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -159.95 125.13 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -147.21 167.47 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.56 95.43 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -122.72 -179.13 4.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mttt 59.07 56.56 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.452 HG22 ' C ' ' A' ' 27' ' ' VAL . 1.6 p -84.9 151.3 24.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.49 152.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.73 106.01 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -103.25 140.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.119 HG22 HD11 ' A' ' 24' ' ' ILE . 60.7 t -95.04 134.11 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.458 ' HB ' HG22 ' A' ' 23' ' ' THR . 15.2 mm -118.42 94.25 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' ND2' ' OE2' ' A' ' 76' ' ' GLU . 62.1 m-80 -85.88 122.43 29.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CE2' ' SG ' ' A' ' 44' ' ' CYS . 34.4 p90 -144.58 169.85 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 20' ' ' THR . 14.6 mttt 71.71 6.5 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.604 ' C ' HG22 ' A' ' 20' ' ' THR . 3.6 mttt 58.67 40.53 23.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER 175.47 -48.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' PHE . 4.9 mm-40 -78.34 154.06 31.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -151.82 150.22 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.458 HG22 ' HB ' ' A' ' 15' ' ' ILE . 9.5 t -135.39 157.79 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.119 HD11 HG22 ' A' ' 14' ' ' VAL . 27.5 mm -114.37 136.17 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.41 HG12 ' HD2' ' A' ' 43' ' ' LYS . 19.9 m -143.8 150.07 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -97.09 131.23 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.514 ' CG1' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -156.34 172.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.529 ' O ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -85.24 132.7 44.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -17.13 19.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -74.82 -55.34 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.72 144.42 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.36 146.04 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 25.0 mt -46.34 -31.56 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -54.63 -35.0 62.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.735 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.6 mm-40 -90.93 -23.61 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 28' ' ' SER . 86.0 mt -95.49 10.27 37.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -68.41 -49.95 29.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.4 Cg_endo -75.0 -43.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 35' ' ' GLU . 3.2 mt -56.68 -27.42 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.421 ' CG2' HD12 ' A' ' 15' ' ' ILE . 50.6 mt -89.79 -61.53 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.636 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 m -49.83 -48.7 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.272 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 23.2 t -53.57 -46.14 70.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HD2' HG12 ' A' ' 25' ' ' VAL . 18.0 mmtt -54.84 -38.82 67.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.591 ' SG ' ' CE2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.66 20.81 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 39.29 36.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -85.59 174.14 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.44 107.45 53.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.42 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.43 -49.51 66.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.18 60.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.636 HG21 ' SG ' ' A' ' 41' ' ' CYS . 1.2 m -120.92 145.62 47.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 52' ' ' LEU . 9.9 mt -120.88 168.75 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.823 HD12 ' CD2' ' A' ' 65' ' ' LEU . 85.8 mt -126.69 103.01 7.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.62 164.18 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -54.88 -52.02 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -166.04 -156.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.94 -20.53 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.93 83.51 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.221 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -177.75 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 72.64 3.88 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.07 117.35 68.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.585 ' HA ' HD13 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.06 146.78 32.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -99.12 173.58 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 119.16 38.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.823 ' CD2' HD12 ' A' ' 53' ' ' LEU . 19.3 mt -61.73 -42.74 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -51.64 -21.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -94.6 168.09 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 p -123.99 171.89 9.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -57.65 -31.13 65.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -70.66 -48.69 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.77 -48.6 81.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.92 -48.86 64.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.9 29.49 28.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.0 mt -114.14 164.36 13.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 8.46 5.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.424 ' OE2' ' ND2' ' A' ' 16' ' ' ASN . 32.6 tt0 -144.8 144.58 31.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -155.45 170.57 21.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -126.42 152.71 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.77 113.84 22.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.8 ttm -106.38 122.61 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.54 104.63 15.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.23 68.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -98.22 83.11 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.18 -55.86 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -118.94 160.98 20.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -120.93 163.68 17.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -158.72 156.52 27.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.435 1.084 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.47 40.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.84 113.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.67 133.6 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.997 . . . . . . . . 0 0 . 1 stop_ save_