data_2b68_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 2b68 _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 ' 3' ' ' GLY . . . . . 0.406 ' C ' ' HB2' ' A' ' 7' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 1.1 m -64.88 162.42 37.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -75.02 161.18 95.37 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.968 -2.514 . . . . 0.0 111.044 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.71 47.99 30.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.406 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 2.2 m-20 -176.6 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -22.96 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -79.33 -23.76 43.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -25.25 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -78.76 -33.5 46.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -73.49 -42.45 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 26.1 m-20 -69.57 -34.78 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -72.58 -33.4 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.602 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.46 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 91.1 m -76.43 -27.18 56.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -82.06 -25.04 34.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -31.71 25.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.638 ' O ' ' CB ' ' A' ' 19' ' ' SER . 2.4 pp -78.28 -54.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.5 m 147.57 67.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -154.98 -171.67 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -101.54 -61.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -162.56 140.63 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -116.23 -158.51 11.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.522 ' CE2' HG22 ' A' ' 37' ' ' THR . 4.5 p90 -173.43 159.15 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ASP . 20.5 m -86.69 123.31 31.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 14.1 t0 -38.05 100.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.673 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -68.31 -7.05 27.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.83 1.84 43.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -124.28 24.04 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.6 mt 68.86 25.5 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.673 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 19.2 m-90 54.05 93.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 15.7 mt -143.91 -49.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.78 175.73 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.82 83.47 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.505 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.05 162.08 25.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -122.34 130.57 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.522 HG22 ' CE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -127.07 146.9 50.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ARG . 59.8 m-20 59.46 113.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 m -137.52 148.41 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -69.71 161.57 73.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.5 Cg_endo -74.97 158.48 98.97 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.004 -0.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.67 54.46 5.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 172.87 76.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.511 0.771 . . . . 0.0 109.19 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -90.93 -17.32 26.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -23.1 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -26.26 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 47.1 m -77.95 -32.66 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.5 t-20 -78.84 -31.67 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 83.1 m-20 -77.47 -30.12 53.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.504 ' O ' ' CG2' ' A' ' 18' ' ' ILE . 9.9 t60 -81.36 -32.69 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' CYS . 89.8 m -76.36 -33.38 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 108.284 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.8 -27.93 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.8 t -77.27 -34.85 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.626 ' O ' ' CB ' ' A' ' 19' ' ' SER . 11.0 pt -76.18 -55.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t 149.34 65.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.1 m -154.37 -175.82 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 108.247 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 5.1 mmt180 -88.63 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -173.95 146.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -116.87 179.21 17.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.578 ' CE2' HG23 ' A' ' 37' ' ' THR . 6.5 p90 -144.75 161.82 38.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.6 m -84.82 115.74 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -37.87 100.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.58 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.74 -5.84 27.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.02 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 29' ' ' THR . 0.6 OUTLIER -125.91 29.08 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.6 mt 64.19 34.26 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.58 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 10.2 m-90 45.2 87.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 32.3 mt -139.31 -53.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -71.34 -179.21 2.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -143.65 89.17 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 108.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -84.18 131.09 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.2 m -87.02 117.39 25.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.578 HG23 ' CE2' ' A' ' 24' ' ' TYR . 2.5 p -112.83 143.82 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 13.1 m-20 61.07 139.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 m -155.51 160.44 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 38.9 m -69.22 150.81 97.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.6 Cg_endo -74.94 157.52 99.55 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.69 57.9 3.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.416 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 1.1 m-20 167.82 79.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -91.37 -19.08 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.24 -24.88 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 4.1 tttt -71.63 -21.82 61.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 77.7 m -78.94 -37.03 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.243 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -74.47 -36.46 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 63.7 m-20 -72.01 -35.52 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -74.01 -33.2 63.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 92.5 m -74.25 -31.08 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -80.34 -25.38 39.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 -34.42 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.024 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.631 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.6 pt -77.95 -57.5 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 m 148.71 67.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -151.96 -174.35 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 13.1 mtp180 -91.81 -61.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -171.48 146.63 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.7 -176.89 16.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.569 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.8 p90 -151.93 166.84 30.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 27' ' ' ALA . 22.6 m -90.24 114.9 27.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.2 OUTLIER -37.98 98.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.607 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -63.59 -10.99 21.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.7 1.1 53.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.44 ' CG2' ' HB3' ' A' ' 26' ' ' ASP . 0.8 OUTLIER -127.58 23.06 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.403 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' TRP . 44.0 mt 67.96 38.67 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.607 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 9.4 m-90 41.66 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HB3' HG22 ' A' ' 29' ' ' THR . 1.7 tp -125.93 -44.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.66 177.98 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.25 85.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 108.283 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.426 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -85.81 133.16 33.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.2 m -94.36 115.55 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.274 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.569 HG21 ' CE2' ' A' ' 24' ' ' TYR . 52.1 p -111.08 143.63 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.476 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 1.2 m-20 61.52 130.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 m -149.63 152.21 35.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.285 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.489 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 77.0 m -76.29 149.94 82.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.1 Cg_endo -75.02 154.78 99.85 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.98 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 82.56 61.44 1.97 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 1.9 m-20 159.28 80.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -13.8 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 -25.11 21.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -71.9 -22.57 61.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 85.8 m -77.56 -39.67 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -72.54 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -68.6 -40.12 80.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -70.89 -34.49 71.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.56 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 91.3 m -71.78 -28.47 63.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 108.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.93 -27.21 36.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -78.16 -33.77 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.612 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.5 pt -78.14 -56.77 6.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.1 t 150.69 67.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.939 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -152.31 174.55 13.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 2.0 mmt180 -86.45 -60.23 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -169.65 143.85 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -118.47 -154.57 9.73 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 35' ' ' THR . 6.6 p90 -174.9 167.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.598 0.822 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ALA . 20.7 m -91.25 120.0 31.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.81 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.634 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -64.76 -9.86 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.49 3.8 50.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 26' ' ' ASP . 0.8 OUTLIER -129.86 21.2 5.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt 69.81 37.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.577 1.173 . . . . 0.0 109.354 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.634 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 10.2 m-90 41.4 71.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.027 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB3' HG21 ' A' ' 29' ' ' THR . 0.6 OUTLIER -121.63 -41.07 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 175.32 10.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.69 84.78 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.514 HG22 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -84.0 160.57 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.6 m -122.24 127.3 49.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.5 HG22 ' CE2' ' A' ' 24' ' ' TYR . 1.2 p -121.35 143.97 48.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.455 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.7 m-20 60.43 120.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -143.89 151.73 40.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.484 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -77.81 160.78 73.53 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -75.03 159.3 98.19 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.996 -0.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.37 47.17 8.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 173.12 80.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.265 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -28.04 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -67.91 -27.76 66.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -72.19 -26.26 61.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 39.6 m -79.43 -34.08 42.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 2.3 m-20 -71.54 -39.12 70.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' LEU . 32.9 m-20 -72.49 -36.65 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.411 ' O ' ' CG2' ' A' ' 18' ' ' ILE . 13.9 t60 -71.76 -29.39 64.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.563 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 88.4 m -79.48 -29.69 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -23.07 39.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -34.89 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.631 ' CD1' ' N ' ' A' ' 19' ' ' SER . 2.5 pp -73.72 -54.25 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.396 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.631 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 2.1 m 148.92 65.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -156.63 -176.7 6.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.295 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -92.0 -60.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -173.28 145.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' O ' ' OD1' ' A' ' 12' ' ' ASN . . . -120.73 173.51 15.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 6.2 p90 -140.79 150.56 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 26' ' ' ASP . 28.6 m -77.47 120.44 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.269 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -35.12 105.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.574 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -73.0 -1.5 17.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.04 6.66 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -129.69 15.71 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 mt 80.58 21.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 21.9 m-90 57.33 43.3 23.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB3' HG22 ' A' ' 29' ' ' THR . 1.0 OUTLIER -95.09 -31.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -86.67 -174.15 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 m -156.61 95.24 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.52 129.85 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -84.8 118.02 24.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 38' ' ' ASP . 26.3 p -112.36 146.29 38.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.46 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 6.8 m-20 61.13 128.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 m -148.69 154.78 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.487 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 35.1 m -63.65 151.34 88.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.1 Cg_endo -75.08 159.01 98.55 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.012 0.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.07 53.96 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.412 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 t-20 176.41 79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -15.02 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.27 -29.2 19.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -28.27 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 92.0 m -71.5 -42.76 67.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 108.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 43.1 t-20 -63.46 -55.56 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.26 -41.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' SER . 80.0 t60 -60.6 -53.58 55.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 38.1 m -50.91 -38.92 52.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 108.244 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.07 -29.49 67.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -68.93 -39.54 79.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.1 -20.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.223 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.5 m 88.44 66.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.63 -91.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 8.5 tpt85 -170.08 -68.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -175.59 140.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.42 -165.57 12.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.561 ' CE2' HG22 ' A' ' 37' ' ' THR . 6.8 p90 -161.53 167.44 25.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.2 m -86.27 116.51 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.426 ' CB ' HG21 ' A' ' 29' ' ' THR . 0.2 OUTLIER -39.35 97.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.615 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -62.6 -11.94 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.78 -1.15 55.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.426 HG21 ' CB ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -125.36 22.02 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' TRP . 50.8 mt 68.2 39.32 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.615 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 9.4 m-90 41.36 73.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tp -125.96 -43.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 2.6 mtt85 -78.35 178.76 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -138.74 86.84 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.345 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.83 124.69 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -87.29 123.36 32.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.561 HG22 ' CE2' ' A' ' 24' ' ' TYR . 1.8 p -115.85 153.53 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 3.0 m-20 61.98 124.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -149.83 152.72 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.583 1.177 . . . . 0.0 108.246 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -78.54 160.76 71.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.2 Cg_endo -75.06 156.01 99.88 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.008 0.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 80.08 56.73 3.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER 161.89 81.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.62 -29.16 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -24.81 61.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.58 -27.33 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 62.3 m -72.99 -32.62 65.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.51 -45.18 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -65.65 -26.28 67.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -77.14 -48.51 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.659 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.508 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 66.0 m -65.03 -22.9 67.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -83.46 -35.93 24.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.426 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 32.3 t -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.649 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.2 pt -80.22 -57.89 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.7 m 146.72 69.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.946 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -148.05 -165.31 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 9.2 tpp180 -97.43 -61.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 37' ' ' THR . . . 176.81 143.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.65 177.37 16.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.592 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.1 p90 -144.08 163.51 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' ASP . 37.8 m -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.454 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.4 OUTLIER -36.87 101.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.614 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -67.11 -6.98 19.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.3 3.44 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -128.76 20.35 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' TRP . 19.6 mt 71.27 36.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.614 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 12.1 m-90 42.39 70.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HB3' HG23 ' A' ' 29' ' ' THR . 1.1 tp -120.6 -41.1 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -80.34 -177.16 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 m -147.16 88.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.93 125.64 35.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.6 m -84.53 114.75 22.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.592 HG21 ' CE2' ' A' ' 24' ' ' TYR . 11.2 p -109.73 143.59 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.498 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 49.6 m-20 60.35 144.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 67.7 m -156.54 165.43 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -73.7 161.36 79.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.496 ' HG3' ' CD2' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.06 161.29 95.1 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.989 0.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.33 50.53 8.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 170.96 78.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -90.69 -23.12 20.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -28.36 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -24.91 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.1 m -75.5 -43.46 48.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 17.3 t30 -63.16 -54.09 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -56.0 -42.95 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -64.43 -31.0 72.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 99.0 m -69.18 -36.15 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -77.73 -21.9 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -80.95 -36.51 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.1 pt -76.85 -56.6 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.7 m 150.74 64.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -155.23 -172.74 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -96.4 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -171.36 149.13 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -132.69 -135.61 3.67 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 p90 179.34 -168.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.998 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ALA . 25.2 m -109.18 124.22 50.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.466 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.15 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.611 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.78 -5.21 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.89 2.59 35.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -126.7 29.38 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.401 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt 65.47 28.59 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 14.0 m-90 51.14 91.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 18.8 mt -142.9 -49.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.07 175.81 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.89 86.06 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.47 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -79.68 161.53 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -129.54 118.78 22.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 22' ' ' ALA . 12.7 p -112.4 151.4 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 60.15 115.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 m -138.17 147.85 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.478 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.02 152.7 37.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -74.96 160.93 95.82 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.009 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.28 -42.45 1.08 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.479 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -174.98 135.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -87.06 -4.25 59.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -79.72 -27.08 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -30.58 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.7 m -73.35 -34.5 65.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 108.223 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -68.75 -52.95 25.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -55.56 -40.99 72.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -65.19 -41.34 94.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 86.7 m -64.1 -24.68 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -37.21 38.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.6 t -67.63 -38.79 84.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.622 ' O ' ' CB ' ' A' ' 19' ' ' SER . 9.1 pt -72.72 -57.42 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.622 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 t 149.25 69.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.2 m -155.36 176.03 13.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -87.62 -59.73 2.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.48 148.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -130.28 -137.48 4.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.433 1.083 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.5 ' CZ ' HG23 ' A' ' 35' ' ' THR . 8.3 p90 179.59 -167.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.568 0.805 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 19.0 m -111.79 117.5 33.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.437 1.086 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.494 ' CB ' HG21 ' A' ' 29' ' ' THR . 0.3 OUTLIER -35.71 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.625 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -65.35 -9.47 25.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.99 -1.66 48.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.494 HG21 ' CB ' ' A' ' 26' ' ' ASP . 1.3 t -122.08 10.51 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 29' ' ' THR . 15.9 mt 81.26 33.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.625 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 14.6 m-90 47.85 59.08 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 3.6 mt -111.75 -35.39 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.4 175.68 9.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.01 85.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.5 HG23 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.64 160.44 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' N ' HG22 ' A' ' 35' ' ' THR . 99.3 m -129.3 120.12 25.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ALA . 8.9 p -114.75 146.5 40.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.6 m-20 60.2 123.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -145.94 150.38 35.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.6 m -71.34 159.41 85.61 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.3 Cg_endo -74.87 158.34 99.02 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.023 -0.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.02 49.23 8.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 4.3 t-20 173.45 78.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -91.03 -25.32 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -25.78 60.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 6.8 mttp -70.23 -27.43 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 65.2 m -73.22 -34.78 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.88 -49.48 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -60.86 -30.85 70.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -71.8 -52.6 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 61.3 m -61.18 -21.24 63.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -82.52 -35.14 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 3.9 t -69.62 -33.44 72.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.3 pt -78.89 -57.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.634 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 m 148.3 69.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -141.97 -157.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.538 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 5.6 tpt180 -117.31 -53.84 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.32 136.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -114.47 -167.53 15.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.533 ' CE2' HG21 ' A' ' 37' ' ' THR . 5.3 p90 -168.49 149.49 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.0 m -80.53 124.75 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 25' ' ' CYS . 1.4 t70 -35.35 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.669 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -72.8 -2.4 20.36 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.83 13.06 25.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -133.92 14.81 3.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 29' ' ' THR . 15.5 mt 80.59 17.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.669 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 24.3 m-90 58.8 70.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' HG21 ' A' ' 29' ' ' THR . 0.2 OUTLIER -117.04 -41.76 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.59 178.31 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.21 86.55 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.494 HG22 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -81.31 162.52 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.472 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.2 m -124.54 125.2 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.533 HG21 ' CE2' ' A' ' 24' ' ' TYR . 1.5 p -122.77 146.16 47.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.538 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 31.2 m-20 60.45 135.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 32.4 m -156.38 163.53 39.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.519 1.137 . . . . 0.0 108.349 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -167.26 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.406 ' C ' ' HB2' ' A' ' 7' ' ' ASN . . . 161.55 -48.36 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 1.1 m -64.88 162.42 37.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -75.02 161.18 95.37 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.968 -2.514 . . . . 0.0 111.044 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.71 47.99 30.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.406 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 2.2 m-20 -176.6 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -22.96 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -79.33 -23.76 43.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -25.25 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -78.76 -33.5 46.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -73.49 -42.45 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 26.1 m-20 -69.57 -34.78 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -72.58 -33.4 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.602 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 91.1 m -76.43 -27.18 56.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -82.06 -25.04 34.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -31.71 25.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.638 ' O ' ' CB ' ' A' ' 19' ' ' SER . 2.4 pp -78.28 -54.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.5 m 147.57 67.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -154.98 -171.67 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -101.54 -61.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -162.56 140.63 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -116.23 -158.51 11.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.522 ' CE2' HG22 ' A' ' 37' ' ' THR . 4.5 p90 -173.43 159.15 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ASP . 20.5 m -86.69 123.31 31.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 14.1 t0 -38.05 100.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.673 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -68.31 -7.05 27.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.83 1.84 43.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -124.28 24.04 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.6 mt 68.86 25.5 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.673 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 19.2 m-90 54.05 93.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 15.7 mt -143.91 -49.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.78 175.73 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.82 83.47 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.505 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.05 162.08 25.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -122.34 130.57 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.522 HG22 ' CE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -127.07 146.9 50.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ARG . 59.8 m-20 59.46 113.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 m -137.52 148.41 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -110.77 77.97 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.06 59.56 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 124.43 20.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -89.31 22.57 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.78 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.26 -44.18 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.425 1.078 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -69.71 161.57 73.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.5 Cg_endo -74.97 158.48 98.97 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.004 -0.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.67 54.46 5.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 172.87 76.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.511 0.771 . . . . 0.0 109.19 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -90.93 -17.32 26.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -23.1 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -26.26 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 47.1 m -77.95 -32.66 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.5 t-20 -78.84 -31.67 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 83.1 m-20 -77.47 -30.12 53.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.504 ' O ' ' CG2' ' A' ' 18' ' ' ILE . 9.9 t60 -81.36 -32.69 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' CYS . 89.8 m -76.36 -33.38 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 108.284 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.8 -27.93 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.8 t -77.27 -34.85 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.626 ' O ' ' CB ' ' A' ' 19' ' ' SER . 11.0 pt -76.18 -55.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t 149.34 65.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.1 m -154.37 -175.82 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 108.247 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 5.1 mmt180 -88.63 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -173.95 146.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -116.87 179.21 17.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.578 ' CE2' HG23 ' A' ' 37' ' ' THR . 6.5 p90 -144.75 161.82 38.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.6 m -84.82 115.74 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -37.87 100.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.58 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.74 -5.84 27.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.02 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 29' ' ' THR . 0.6 OUTLIER -125.91 29.08 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.6 mt 64.19 34.26 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.58 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 10.2 m-90 45.2 87.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 32.3 mt -139.31 -53.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -71.34 -179.21 2.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -143.65 89.17 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 108.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -84.18 131.09 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.2 m -87.02 117.39 25.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.578 HG23 ' CE2' ' A' ' 24' ' ' TYR . 2.5 p -112.83 143.82 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 13.1 m-20 61.07 139.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 m -155.51 160.44 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.77 74.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.89 -157.13 28.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.61 115.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.246 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.93 34.98 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 0.816 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.29 -49.13 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 38.9 m -69.22 150.81 97.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.6 Cg_endo -74.94 157.52 99.55 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.69 57.9 3.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.416 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 1.1 m-20 167.82 79.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -91.37 -19.08 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.24 -24.88 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 4.1 tttt -71.63 -21.82 61.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 77.7 m -78.94 -37.03 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.243 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -74.47 -36.46 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 63.7 m-20 -72.01 -35.52 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -74.01 -33.2 63.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 92.5 m -74.25 -31.08 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -80.34 -25.38 39.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 -34.42 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.024 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.631 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.6 pt -77.95 -57.5 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 m 148.71 67.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -151.96 -174.35 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 13.1 mtp180 -91.81 -61.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -171.48 146.63 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.7 -176.89 16.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.569 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.8 p90 -151.93 166.84 30.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 27' ' ' ALA . 22.6 m -90.24 114.9 27.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.2 OUTLIER -37.98 98.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.607 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -63.59 -10.99 21.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.7 1.1 53.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.44 ' CG2' ' HB3' ' A' ' 26' ' ' ASP . 0.8 OUTLIER -127.58 23.06 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.403 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' TRP . 44.0 mt 67.96 38.67 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.607 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 9.4 m-90 41.66 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HB3' HG22 ' A' ' 29' ' ' THR . 1.7 tp -125.93 -44.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.66 177.98 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.25 85.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 108.283 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.426 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -85.81 133.16 33.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.2 m -94.36 115.55 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.274 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.569 HG21 ' CE2' ' A' ' 24' ' ' TYR . 52.1 p -111.08 143.63 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.476 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 1.2 m-20 61.52 130.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 m -149.63 152.21 35.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.285 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -93.45 71.88 4.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.61 51.83 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm 56.37 72.81 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.445 0.732 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.42 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 41.7 m-85 -72.84 -16.34 61.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.77 -43.5 0.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.489 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 77.0 m -76.29 149.94 82.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.1 Cg_endo -75.02 154.78 99.85 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.98 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 82.56 61.44 1.97 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 1.9 m-20 159.28 80.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -13.8 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 -25.11 21.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -71.9 -22.57 61.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 85.8 m -77.56 -39.67 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -72.54 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -68.6 -40.12 80.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.401 ' CE1' ' HE1' ' A' ' 2' ' ' PHE . 7.1 t60 -70.89 -34.49 71.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.56 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 91.3 m -71.78 -28.47 63.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 108.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.93 -27.21 36.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -78.16 -33.77 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.612 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.5 pt -78.14 -56.77 6.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.1 t 150.69 67.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.939 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -152.31 174.55 13.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 2.0 mmt180 -86.45 -60.23 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -169.65 143.85 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -118.47 -154.57 9.73 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 35' ' ' THR . 6.6 p90 -174.9 167.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.598 0.822 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ALA . 20.7 m -91.25 120.0 31.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.81 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.634 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -64.76 -9.86 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.49 3.8 50.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 26' ' ' ASP . 0.8 OUTLIER -129.86 21.2 5.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt 69.81 37.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.577 1.173 . . . . 0.0 109.354 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.634 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 10.2 m-90 41.4 71.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.027 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB3' HG21 ' A' ' 29' ' ' THR . 0.6 OUTLIER -121.63 -41.07 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 175.32 10.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -134.69 84.78 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.514 HG22 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -84.0 160.57 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.6 m -122.24 127.3 49.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.5 HG22 ' CE2' ' A' ' 24' ' ' TYR . 1.2 p -121.35 143.97 48.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.455 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.7 m-20 60.43 120.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -143.89 151.73 40.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -112.8 78.15 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.44 117.33 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.579 1.174 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -88.57 129.2 35.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 0.794 . . . . 0.0 109.214 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 59.03 32.81 22.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.59 -45.2 0.6 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.094 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.484 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -77.81 160.78 73.53 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -75.03 159.3 98.19 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.996 -0.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.37 47.17 8.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 173.12 80.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.265 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -28.04 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -67.91 -27.76 66.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -72.19 -26.26 61.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 39.6 m -79.43 -34.08 42.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 2.3 m-20 -71.54 -39.12 70.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' LEU . 32.9 m-20 -72.49 -36.65 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.411 ' O ' ' CG2' ' A' ' 18' ' ' ILE . 13.9 t60 -71.76 -29.39 64.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.563 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 88.4 m -79.48 -29.69 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -23.07 39.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -34.89 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.631 ' CD1' ' N ' ' A' ' 19' ' ' SER . 2.5 pp -73.72 -54.25 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.396 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.631 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 2.1 m 148.92 65.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -156.63 -176.7 6.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.295 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -92.0 -60.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -173.28 145.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' O ' ' OD1' ' A' ' 12' ' ' ASN . . . -120.73 173.51 15.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 6.2 p90 -140.79 150.56 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 26' ' ' ASP . 28.6 m -77.47 120.44 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.269 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -35.12 105.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.574 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -73.0 -1.5 17.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.04 6.66 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -129.69 15.71 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 mt 80.58 21.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 21.9 m-90 57.33 43.3 23.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB3' HG22 ' A' ' 29' ' ' THR . 1.0 OUTLIER -95.09 -31.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -86.67 -174.15 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 1' ' ' GLY . 1.6 m -156.61 95.24 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.52 129.85 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -84.8 118.02 24.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 38' ' ' ASP . 26.3 p -112.36 146.29 38.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.46 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 6.8 m-20 61.13 128.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 m -148.69 154.78 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -99.94 74.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 74.19 1.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.03 140.37 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 0.754 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' N ' ' HB2' ' A' ' 34' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.54 -44.15 91.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.71 -32.62 1.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.487 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 35.1 m -63.65 151.34 88.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.1 Cg_endo -75.08 159.01 98.55 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.012 0.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.07 53.96 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.412 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 t-20 176.41 79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -15.02 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.27 -29.2 19.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -28.27 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 92.0 m -71.5 -42.76 67.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 108.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 43.1 t-20 -63.46 -55.56 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.26 -41.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' SER . 80.0 t60 -60.6 -53.58 55.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 38.1 m -50.91 -38.92 52.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 108.244 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.07 -29.49 67.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -68.93 -39.54 79.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.1 -20.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.223 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.5 m 88.44 66.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.63 -91.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 8.5 tpt85 -170.08 -68.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -175.59 140.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.42 -165.57 12.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.561 ' CE2' HG22 ' A' ' 37' ' ' THR . 6.8 p90 -161.53 167.44 25.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.2 m -86.27 116.51 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.426 ' CB ' HG21 ' A' ' 29' ' ' THR . 0.2 OUTLIER -39.35 97.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.615 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -62.6 -11.94 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.78 -1.15 55.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.426 HG21 ' CB ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -125.36 22.02 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' TRP . 50.8 mt 68.2 39.32 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.615 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 9.4 m-90 41.36 73.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tp -125.96 -43.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 2.6 mtt85 -78.35 178.76 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.4 ' HB2' ' N ' ' A' ' 1' ' ' GLY . 1.2 m -138.74 86.84 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.345 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.83 124.69 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -87.29 123.36 32.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.561 HG22 ' CE2' ' A' ' 24' ' ' TYR . 1.8 p -115.85 153.53 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 3.0 m-20 61.98 124.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -149.83 152.72 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.583 1.177 . . . . 0.0 108.246 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -89.52 72.57 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.74 72.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 159.04 43.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.265 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -83.5 11.36 7.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.35 -44.44 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -78.54 160.76 71.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.2 Cg_endo -75.06 156.01 99.88 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.008 0.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 80.08 56.73 3.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER 161.89 81.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.62 -29.16 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -24.81 61.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.58 -27.33 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 62.3 m -72.99 -32.62 65.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.51 -45.18 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -65.65 -26.28 67.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -77.14 -48.51 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.659 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 66.0 m -65.03 -22.9 67.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -83.46 -35.93 24.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.426 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 32.3 t -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.649 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.2 pt -80.22 -57.89 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.7 m 146.72 69.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.946 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -148.05 -165.31 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 9.2 tpp180 -97.43 -61.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 37' ' ' THR . . . 176.81 143.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.65 177.37 16.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.592 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.1 p90 -144.08 163.51 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' ASP . 37.8 m -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.4 OUTLIER -36.87 101.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.614 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -67.11 -6.98 19.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.3 3.44 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -128.76 20.35 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' TRP . 19.6 mt 71.27 36.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.614 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 12.1 m-90 42.39 70.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HB3' HG23 ' A' ' 29' ' ' THR . 1.1 tp -120.6 -41.1 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -80.34 -177.16 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 m -147.16 88.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.93 125.64 35.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.6 m -84.53 114.75 22.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.592 HG21 ' CE2' ' A' ' 24' ' ' TYR . 11.2 p -109.73 143.59 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.498 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 49.6 m-20 60.35 144.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 67.7 m -156.54 165.43 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.6 77.76 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.29 61.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.397 1.061 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.38 152.59 22.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.3 mptt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -159.87 41.77 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.4 -47.75 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -73.7 161.36 79.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.496 ' HG3' ' CD2' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.06 161.29 95.1 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.989 0.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.33 50.53 8.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 170.96 78.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -90.69 -23.12 20.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -28.36 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -24.91 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.1 m -75.5 -43.46 48.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 17.3 t30 -63.16 -54.09 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -56.0 -42.95 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -64.43 -31.0 72.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 99.0 m -69.18 -36.15 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -77.73 -21.9 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -80.95 -36.51 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.1 pt -76.85 -56.6 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.7 m 150.74 64.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -155.23 -172.74 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -96.4 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -171.36 149.13 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -132.69 -135.61 3.67 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 p90 179.34 -168.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.998 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ALA . 25.2 m -109.18 124.22 50.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.15 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.611 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.78 -5.21 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.89 2.59 35.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -126.7 29.38 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.401 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt 65.47 28.59 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 14.0 m-90 51.14 91.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 18.8 mt -142.9 -49.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.07 175.81 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.89 86.06 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.47 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -79.68 161.53 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -129.54 118.78 22.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 22' ' ' ALA . 12.7 p -112.4 151.4 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 60.15 115.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 m -138.17 147.85 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -94.63 75.23 3.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.1 51.13 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.156 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.87 158.9 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.204 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 2' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 4.7 m-85 -174.05 35.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.53 -31.04 2.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.478 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.02 152.7 37.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -74.96 160.93 95.82 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.009 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.28 -42.45 1.08 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.479 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -174.98 135.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -87.06 -4.25 59.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -79.72 -27.08 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -30.58 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.7 m -73.35 -34.5 65.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 108.223 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -68.75 -52.95 25.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -55.56 -40.99 72.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -65.19 -41.34 94.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 86.7 m -64.1 -24.68 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -37.21 38.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.6 t -67.63 -38.79 84.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.622 ' O ' ' CB ' ' A' ' 19' ' ' SER . 9.1 pt -72.72 -57.42 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.622 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 t 149.25 69.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.2 m -155.36 176.03 13.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -87.62 -59.73 2.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.48 148.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -130.28 -137.48 4.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.433 1.083 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.5 ' CZ ' HG23 ' A' ' 35' ' ' THR . 8.3 p90 179.59 -167.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.568 0.805 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 19.0 m -111.79 117.5 33.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.437 1.086 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.494 ' CB ' HG21 ' A' ' 29' ' ' THR . 0.3 OUTLIER -35.71 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.625 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -65.35 -9.47 25.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.99 -1.66 48.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.494 HG21 ' CB ' ' A' ' 26' ' ' ASP . 1.3 t -122.08 10.51 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 29' ' ' THR . 15.9 mt 81.26 33.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.625 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 14.6 m-90 47.85 59.08 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 3.6 mt -111.75 -35.39 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.4 175.68 9.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.01 85.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.5 HG23 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.64 160.44 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' N ' HG22 ' A' ' 35' ' ' THR . 99.3 m -129.3 120.12 25.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ALA . 8.9 p -114.75 146.5 40.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.6 m-20 60.2 123.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -145.94 150.38 35.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -77.08 68.74 3.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.71 107.83 2.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tttt 66.41 150.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -40.74 87.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.395 0.703 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -119.99 -32.83 1.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.449 1.093 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.6 m -71.34 159.41 85.61 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.3 Cg_endo -74.87 158.34 99.02 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.023 -0.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.02 49.23 8.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 4.3 t-20 173.45 78.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -91.03 -25.32 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -25.78 60.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 6.8 mttp -70.23 -27.43 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 65.2 m -73.22 -34.78 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.88 -49.48 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -60.86 -30.85 70.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -71.8 -52.6 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 61.3 m -61.18 -21.24 63.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -82.52 -35.14 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 3.9 t -69.62 -33.44 72.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.3 pt -78.89 -57.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.634 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 m 148.3 69.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -141.97 -157.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.538 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 5.6 tpt180 -117.31 -53.84 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.32 136.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -114.47 -167.53 15.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.533 ' CE2' HG21 ' A' ' 37' ' ' THR . 5.3 p90 -168.49 149.49 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.0 m -80.53 124.75 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 25' ' ' CYS . 1.4 t70 -35.35 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.669 ' CB ' ' CZ2' ' A' ' 31' ' ' TRP . . . -72.8 -2.4 20.36 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.83 13.06 25.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -133.92 14.81 3.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 29' ' ' THR . 15.5 mt 80.59 17.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.669 ' CZ2' ' CB ' ' A' ' 27' ' ' ALA . 24.3 m-90 58.8 70.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' HG21 ' A' ' 29' ' ' THR . 0.2 OUTLIER -117.04 -41.76 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.59 178.31 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.21 86.55 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.494 HG22 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -81.31 162.52 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.472 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.2 m -124.54 125.2 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.533 HG21 ' CE2' ' A' ' 24' ' ' TYR . 1.5 p -122.77 146.16 47.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.538 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 31.2 m-20 60.45 135.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 32.4 m -156.38 163.53 39.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.519 1.137 . . . . 0.0 108.349 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -110.97 76.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.02 -68.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.93 136.8 1.56 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.552 0.795 . . . . 0.0 109.375 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.407 ' C ' ' HB2' ' A' ' 7' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.547 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 1.1 m -64.88 162.42 37.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -75.02 161.18 95.37 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.968 -2.514 . . . . 0.0 111.044 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.71 47.99 30.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.407 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 2.2 m-20 -176.6 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -22.96 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -23.76 43.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -25.25 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -78.76 -33.5 46.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.49 -42.45 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.457 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 6.7 m120 -69.57 -34.78 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.715 ' O ' HG23 ' A' ' 18' ' ' ILE . 14.4 t60 -72.58 -33.4 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.602 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 91.1 m -76.43 -27.18 56.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -82.06 -25.04 34.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -31.71 25.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.976 HD12 ' N ' ' A' ' 19' ' ' SER . 2.4 pp -78.28 -54.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.976 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.5 m 147.57 67.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -154.98 -171.67 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -101.54 -61.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -162.56 140.63 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -116.23 -158.51 11.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.652 ' HE2' HG21 ' A' ' 37' ' ' THR . 4.5 p90 -173.43 159.15 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ASP . 20.5 m -86.69 123.31 31.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 14.1 t0 -38.05 100.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.888 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -68.31 -7.05 27.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.83 1.84 43.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -124.28 24.04 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.6 mt 68.86 25.5 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.888 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 19.2 m-90 54.05 93.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD21 ' HG3' ' A' ' 5' ' ' PRO . 15.7 mt -143.91 -49.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -72.78 175.73 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.82 83.47 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.607 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.05 162.08 25.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -122.34 130.57 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.652 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -127.07 146.9 50.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ARG . 59.8 m-20 59.46 113.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 m -137.52 148.41 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.526 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -69.71 161.57 73.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.5 Cg_endo -74.97 158.48 98.97 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.004 -0.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.67 54.46 5.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 172.87 76.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.511 0.771 . . . . 0.0 109.19 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -90.93 -17.32 26.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -23.1 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -26.26 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 47.1 m -77.95 -32.66 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -78.84 -31.67 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 13.9 m120 -77.47 -30.12 53.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.914 ' O ' HG23 ' A' ' 18' ' ' ILE . 9.9 t60 -81.36 -32.69 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' CYS . 89.8 m -76.36 -33.38 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 108.284 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.8 -27.93 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.8 t -77.27 -34.85 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 14' ' ' HIS . 11.0 pt -76.18 -55.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t 149.34 65.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.1 m -154.37 -175.82 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 108.247 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 5.1 mmt180 -88.63 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -173.95 146.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -116.87 179.21 17.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.631 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.5 p90 -144.75 161.82 38.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 22.6 m -84.82 115.74 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -37.87 100.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.833 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.74 -5.84 27.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.02 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 29' ' ' THR . 0.6 OUTLIER -125.91 29.08 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.6 mt 64.19 34.26 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.833 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 10.2 m-90 45.2 87.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 32.3 mt -139.31 -53.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -71.34 -179.21 2.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -143.65 89.17 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 108.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.538 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -84.18 131.09 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 18' ' ' ILE . 51.2 m -87.02 117.39 25.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.631 HG21 ' HE2' ' A' ' 24' ' ' TYR . 2.5 p -112.83 143.82 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 13.1 m-20 61.07 139.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 m -155.51 160.44 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 38.9 m -69.22 150.81 97.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.752 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.6 Cg_endo -74.94 157.52 99.55 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.69 57.9 3.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.415 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 1.1 m-20 167.82 79.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -91.37 -19.08 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.24 -24.88 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 4.1 tttt -71.63 -21.82 61.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 77.7 m -78.94 -37.03 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.243 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -74.47 -36.46 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.457 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 8.4 m120 -72.01 -35.52 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.749 ' O ' HG23 ' A' ' 18' ' ' ILE . 15.6 t60 -74.01 -33.2 63.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 92.5 m -74.25 -31.08 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -80.34 -25.38 39.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 -34.42 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.024 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.749 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.6 pt -77.95 -57.5 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 m 148.71 67.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -151.96 -174.35 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 13.1 mtp180 -91.81 -61.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -171.48 146.63 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.7 -176.89 16.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.692 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.8 p90 -151.93 166.84 30.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 27' ' ' ALA . 22.6 m -90.24 114.9 27.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.2 OUTLIER -37.98 98.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.801 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -63.59 -10.99 21.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.7 1.1 53.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -127.58 23.06 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.403 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' TRP . 44.0 mt 67.96 38.67 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.801 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 9.4 m-90 41.66 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.752 HD13 ' HD3' ' A' ' 5' ' ' PRO . 1.7 tp -125.93 -44.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -74.66 177.98 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.25 85.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 108.283 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.51 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -85.81 133.16 33.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 18' ' ' ILE . 63.2 m -94.36 115.55 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.692 HG21 ' CE2' ' A' ' 24' ' ' TYR . 52.1 p -111.08 143.63 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 1.2 m-20 61.52 130.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 m -149.63 152.21 35.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.285 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 77.0 m -76.29 149.94 82.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.1 Cg_endo -75.02 154.78 99.85 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.98 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 82.56 61.44 1.97 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 1.9 m-20 159.28 80.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -13.8 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 -25.11 21.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -71.9 -22.57 61.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 85.8 m -77.56 -39.67 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -72.54 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -68.6 -40.12 80.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.669 ' O ' HG23 ' A' ' 18' ' ' ILE . 7.1 t60 -70.89 -34.49 71.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.56 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 91.3 m -71.78 -28.47 63.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 108.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.93 -27.21 36.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -78.16 -33.77 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.5 pt -78.14 -56.77 6.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.1 t 150.69 67.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.939 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -152.31 174.55 13.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 2.0 mmt180 -86.45 -60.23 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -169.65 143.85 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -118.47 -154.57 9.73 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.645 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.6 p90 -174.9 167.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.598 0.822 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ALA . 20.7 m -91.25 120.0 31.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.81 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.826 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -64.76 -9.86 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.49 3.8 50.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -129.86 21.2 5.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt 69.81 37.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.577 1.173 . . . . 0.0 109.354 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.826 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 10.2 m-90 41.4 71.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.027 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.944 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -121.63 -41.07 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 175.32 10.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.69 84.78 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.551 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -84.0 160.57 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.6 m -122.24 127.3 49.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.645 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.2 p -121.35 143.97 48.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.455 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.7 m-20 60.43 120.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -143.89 151.73 40.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -77.81 160.78 73.53 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 159.3 98.19 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.996 -0.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.37 47.17 8.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 173.12 80.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.265 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -28.04 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -67.91 -27.76 66.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -72.19 -26.26 61.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 39.6 m -79.43 -34.08 42.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 2.3 m-20 -71.54 -39.12 70.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 7.8 m120 -72.49 -36.65 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 18' ' ' ILE . 13.9 t60 -71.76 -29.39 64.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.563 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 88.4 m -79.48 -29.69 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -23.07 39.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -34.89 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.973 HD12 ' N ' ' A' ' 19' ' ' SER . 2.5 pp -73.72 -54.25 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.396 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.973 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.1 m 148.92 65.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -156.63 -176.7 6.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.295 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -92.0 -60.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -173.28 145.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' O ' ' OD1' ' A' ' 12' ' ' ASN . . . -120.73 173.51 15.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.683 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.2 p90 -140.79 150.56 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 26' ' ' ASP . 28.6 m -77.47 120.44 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.269 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -35.12 105.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.762 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -73.0 -1.5 17.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.04 6.66 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -129.69 15.71 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 mt 80.58 21.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.762 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 21.9 m-90 57.33 43.3 23.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -95.09 -31.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -86.67 -174.15 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 m -156.61 95.24 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.52 129.85 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -84.8 118.02 24.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.683 HG21 ' CE2' ' A' ' 24' ' ' TYR . 26.3 p -112.36 146.29 38.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.461 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 6.8 m-20 61.13 128.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 m -148.69 154.78 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.514 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 35.1 m -63.65 151.34 88.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.65 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.1 Cg_endo -75.08 159.01 98.55 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.012 0.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.07 53.96 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.412 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 t-20 176.41 79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -15.02 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.27 -29.2 19.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -28.27 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 92.0 m -71.5 -42.76 67.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 108.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 43.1 t-20 -63.46 -55.56 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.26 -41.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' SER . 80.0 t60 -60.6 -53.58 55.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 38.1 m -50.91 -38.92 52.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 108.244 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.07 -29.49 67.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -68.93 -39.54 79.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.1 -20.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.223 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.5 m 88.44 66.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.63 -91.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 8.5 tpt85 -170.08 -68.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -175.59 140.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.42 -165.57 12.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.486 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.8 p90 -161.53 167.44 25.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.2 m -86.27 116.51 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.2 OUTLIER -39.35 97.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -62.6 -11.94 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.78 -1.15 55.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 29' ' ' THR . 0.9 OUTLIER -125.36 22.02 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' TRP . 50.8 mt 68.2 39.32 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.794 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 9.4 m-90 41.36 73.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.65 HD13 ' HD3' ' A' ' 5' ' ' PRO . 2.4 tp -125.96 -43.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 2.6 mtt85 -78.35 178.76 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -138.74 86.84 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.345 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.83 124.69 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -87.29 123.36 32.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.486 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.8 p -115.85 153.53 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 3.0 m-20 61.98 124.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -149.83 152.72 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.583 1.177 . . . . 0.0 108.246 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.497 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -78.54 160.76 71.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.636 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.06 156.01 99.88 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.008 0.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 80.08 56.73 3.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 1.1 m-20 161.89 81.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.62 -29.16 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -24.81 61.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.58 -27.33 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 62.3 m -72.99 -32.62 65.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.621 ' ND2' ' HB1' ' A' ' 22' ' ' ALA . 2.1 m120 -76.51 -45.18 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.65 -26.28 67.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.469 ' O ' HG23 ' A' ' 18' ' ' ILE . 4.3 t60 -77.14 -48.51 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.659 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 66.0 m -65.03 -22.9 67.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -83.46 -35.93 24.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.425 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 32.3 t -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.649 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.2 pt -80.22 -57.89 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.7 m 146.72 69.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.946 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -148.05 -165.31 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.497 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 9.2 tpp180 -97.43 -61.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HB1' ' ND2' ' A' ' 12' ' ' ASN . . . 176.81 143.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.65 177.37 16.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.625 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.1 p90 -144.08 163.51 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 37.8 m -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.454 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.4 OUTLIER -36.87 101.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.818 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -67.11 -6.98 19.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.3 3.44 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -128.76 20.35 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' TRP . 19.6 mt 71.27 36.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.818 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 12.1 m-90 42.39 70.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 tp -120.6 -41.1 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -80.34 -177.16 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 m -147.16 88.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.93 125.64 35.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.6 m -84.53 114.75 22.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.625 HG21 ' CE2' ' A' ' 24' ' ' TYR . 11.2 p -109.73 143.59 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 49.6 m-20 60.35 144.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 67.7 m -156.54 165.43 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -73.7 161.36 79.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.2 Cg_endo -75.06 161.29 95.1 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.989 0.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.33 50.53 8.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 170.96 78.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -90.69 -23.12 20.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -28.36 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -24.91 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.1 m -75.5 -43.46 48.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 17.3 t30 -63.16 -54.09 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.0 -42.95 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 18' ' ' ILE . 21.1 t60 -64.43 -31.0 72.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 99.0 m -69.18 -36.15 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -77.73 -21.9 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -80.95 -36.51 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.1 pt -76.85 -56.6 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.7 m 150.74 64.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -155.23 -172.74 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -96.4 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -171.36 149.13 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -132.69 -135.61 3.67 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 p90 179.34 -168.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.998 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ALA . 25.2 m -109.18 124.22 50.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.15 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.864 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.78 -5.21 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.89 2.59 35.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -126.7 29.38 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.401 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt 65.47 28.59 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.864 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 14.0 m-90 51.14 91.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.497 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 18.8 mt -142.9 -49.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -72.07 175.81 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.89 86.06 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.47 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -79.68 161.53 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 18' ' ' ILE . 94.1 m -129.54 118.78 22.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.435 HG23 ' HA2' ' A' ' 23' ' ' GLY . 12.7 p -112.4 151.4 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 60.15 115.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 m -138.17 147.85 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.499 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.02 152.7 37.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -74.96 160.93 95.82 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.009 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.28 -42.45 1.08 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.708 ' HB2' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -174.98 135.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -87.06 -4.25 59.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.708 HD23 ' HB2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -79.72 -27.08 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -30.58 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.7 m -73.35 -34.5 65.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 108.223 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -68.75 -52.95 25.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -55.56 -40.99 72.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -65.19 -41.34 94.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 86.7 m -64.1 -24.68 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -37.21 38.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.6 t -67.63 -38.79 84.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.622 ' O ' ' CB ' ' A' ' 19' ' ' SER . 9.1 pt -72.72 -57.42 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.622 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 t 149.25 69.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.2 m -155.36 176.03 13.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -87.62 -59.73 2.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.48 148.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.5 ' HA2' HG23 ' A' ' 37' ' ' THR . . . -130.28 -137.48 4.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.433 1.083 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.63 ' CZ ' HG21 ' A' ' 35' ' ' THR . 8.3 p90 179.59 -167.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.568 0.805 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 19.0 m -111.79 117.5 33.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.437 1.086 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.3 OUTLIER -35.71 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.827 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -65.35 -9.47 25.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.99 -1.66 48.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.541 HG23 ' HB2' ' A' ' 32' ' ' LEU . 1.3 t -122.08 10.51 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 29' ' ' THR . 15.9 mt 81.26 33.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.827 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 14.6 m-90 47.85 59.08 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.541 ' HB2' HG23 ' A' ' 29' ' ' THR . 3.6 mt -111.75 -35.39 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -84.4 175.68 9.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.01 85.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.63 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.64 160.44 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.3 m -129.3 120.12 25.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.5 HG23 ' HA2' ' A' ' 23' ' ' GLY . 8.9 p -114.75 146.5 40.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.6 m-20 60.2 123.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -145.94 150.38 35.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.481 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.6 m -71.34 159.41 85.61 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.3 Cg_endo -74.87 158.34 99.02 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.023 -0.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.02 49.23 8.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 4.3 t-20 173.45 78.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -91.03 -25.32 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -25.78 60.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 6.8 mttp -70.23 -27.43 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 65.2 m -73.22 -34.78 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.88 -49.48 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -60.86 -30.85 70.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -71.8 -52.6 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.511 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 61.3 m -61.18 -21.24 63.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -82.52 -35.14 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 3.9 t -69.62 -33.44 72.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.3 pt -78.89 -57.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.634 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 m 148.3 69.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -141.97 -157.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.539 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 5.6 tpt180 -117.31 -53.84 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.32 136.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -114.47 -167.53 15.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.668 ' HE2' HG21 ' A' ' 37' ' ' THR . 5.3 p90 -168.49 149.49 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.0 m -80.53 124.75 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 25' ' ' CYS . 1.4 t70 -35.35 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.867 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -72.8 -2.4 20.36 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.83 13.06 25.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -133.92 14.81 3.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 32' ' ' LEU . 15.5 mt 80.59 17.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.867 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 24.3 m-90 58.8 70.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' HB2' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -117.04 -41.76 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -81.59 178.31 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.245 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.21 86.55 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.555 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -81.31 162.52 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.472 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.2 m -124.54 125.2 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.668 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.5 p -122.77 146.16 47.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.539 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 31.2 m-20 60.45 135.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 32.4 m -156.38 163.53 39.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.519 1.137 . . . . 0.0 108.349 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 33' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -167.26 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' C ' ' HB2' ' A' ' 7' ' ' ASN . . . 161.55 -48.36 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.547 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 1.1 m -64.88 162.42 37.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -75.02 161.18 95.37 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.968 -2.514 . . . . 0.0 111.044 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.71 47.99 30.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.407 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 2.2 m-20 -176.6 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -22.96 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -23.76 43.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -25.25 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -78.76 -33.5 46.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.49 -42.45 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.457 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 6.7 m120 -69.57 -34.78 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.715 ' O ' HG23 ' A' ' 18' ' ' ILE . 14.4 t60 -72.58 -33.4 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.602 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 91.1 m -76.43 -27.18 56.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -82.06 -25.04 34.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -31.71 25.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.976 HD12 ' N ' ' A' ' 19' ' ' SER . 2.4 pp -78.28 -54.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.976 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.5 m 147.57 67.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -154.98 -171.67 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -101.54 -61.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -162.56 140.63 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -116.23 -158.51 11.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.652 ' HE2' HG21 ' A' ' 37' ' ' THR . 4.5 p90 -173.43 159.15 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ASP . 20.5 m -86.69 123.31 31.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 14.1 t0 -38.05 100.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.888 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -68.31 -7.05 27.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.83 1.84 43.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -124.28 24.04 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.6 mt 68.86 25.5 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.888 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 19.2 m-90 54.05 93.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD21 ' HG3' ' A' ' 5' ' ' PRO . 15.7 mt -143.91 -49.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HA ' ' CA ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -72.78 175.73 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.82 83.47 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.607 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.05 162.08 25.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -122.34 130.57 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.652 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -127.07 146.9 50.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ARG . 59.8 m-20 59.46 113.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 m -137.52 148.41 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -110.77 77.97 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.06 59.56 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 124.43 20.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -89.31 22.57 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.78 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.26 -44.18 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.425 1.078 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.526 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -69.71 161.57 73.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.5 Cg_endo -74.97 158.48 98.97 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.004 -0.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.67 54.46 5.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 172.87 76.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.511 0.771 . . . . 0.0 109.19 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -90.93 -17.32 26.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -23.1 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -26.26 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 47.1 m -77.95 -32.66 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -78.84 -31.67 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 13.9 m120 -77.47 -30.12 53.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.914 ' O ' HG23 ' A' ' 18' ' ' ILE . 9.9 t60 -81.36 -32.69 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' CYS . 89.8 m -76.36 -33.38 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 108.284 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.8 -27.93 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.8 t -77.27 -34.85 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 14' ' ' HIS . 11.0 pt -76.18 -55.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t 149.34 65.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.1 m -154.37 -175.82 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 108.247 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 5.1 mmt180 -88.63 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -173.95 146.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -116.87 179.21 17.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.631 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.5 p90 -144.75 161.82 38.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 22.6 m -84.82 115.74 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -37.87 100.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.833 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.74 -5.84 27.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.02 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 29' ' ' THR . 0.6 OUTLIER -125.91 29.08 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.6 mt 64.19 34.26 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.833 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 10.2 m-90 45.2 87.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 32.3 mt -139.31 -53.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -71.34 -179.21 2.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -143.65 89.17 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 108.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.538 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -84.18 131.09 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 18' ' ' ILE . 51.2 m -87.02 117.39 25.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.631 HG21 ' HE2' ' A' ' 24' ' ' TYR . 2.5 p -112.83 143.82 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 13.1 m-20 61.07 139.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 m -155.51 160.44 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.77 74.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.89 -157.13 28.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.61 115.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.246 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.93 34.98 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 0.816 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.29 -49.13 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 38.9 m -69.22 150.81 97.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.752 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.6 Cg_endo -74.94 157.52 99.55 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.69 57.9 3.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 1.1 m-20 167.82 79.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -91.37 -19.08 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.24 -24.88 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 4.1 tttt -71.63 -21.82 61.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 77.7 m -78.94 -37.03 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.243 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -74.47 -36.46 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.457 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 8.4 m120 -72.01 -35.52 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.749 ' O ' HG23 ' A' ' 18' ' ' ILE . 15.6 t60 -74.01 -33.2 63.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 92.5 m -74.25 -31.08 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -80.34 -25.38 39.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 -34.42 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.024 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.749 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.6 pt -77.95 -57.5 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 m 148.71 67.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -151.96 -174.35 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 13.1 mtp180 -91.81 -61.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -171.48 146.63 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.7 -176.89 16.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.692 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.8 p90 -151.93 166.84 30.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 27' ' ' ALA . 22.6 m -90.24 114.9 27.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.2 OUTLIER -37.98 98.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.801 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -63.59 -10.99 21.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.7 1.1 53.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -127.58 23.06 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.403 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' TRP . 44.0 mt 67.96 38.67 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.801 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 9.4 m-90 41.66 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.752 HD13 ' HD3' ' A' ' 5' ' ' PRO . 1.7 tp -125.93 -44.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -74.66 177.98 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.25 85.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 108.283 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.51 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -85.81 133.16 33.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 18' ' ' ILE . 63.2 m -94.36 115.55 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.692 HG21 ' CE2' ' A' ' 24' ' ' TYR . 52.1 p -111.08 143.63 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 1.2 m-20 61.52 130.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 m -149.63 152.21 35.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.285 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -93.45 71.88 4.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.61 51.83 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm 56.37 72.81 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.445 0.732 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.42 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 41.7 m-85 -72.84 -16.34 61.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.77 -43.5 0.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 77.0 m -76.29 149.94 82.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.1 Cg_endo -75.02 154.78 99.85 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.98 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 82.56 61.44 1.97 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 1.9 m-20 159.28 80.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -13.8 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 -25.11 21.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -71.9 -22.57 61.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 85.8 m -77.56 -39.67 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -72.54 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -68.6 -40.12 80.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.669 ' O ' HG23 ' A' ' 18' ' ' ILE . 7.1 t60 -70.89 -34.49 71.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.56 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 91.3 m -71.78 -28.47 63.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 108.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.93 -27.21 36.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -78.16 -33.77 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.5 pt -78.14 -56.77 6.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.1 t 150.69 67.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.939 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -152.31 174.55 13.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 2.0 mmt180 -86.45 -60.23 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -169.65 143.85 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -118.47 -154.57 9.73 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.645 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.6 p90 -174.9 167.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.598 0.822 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ALA . 20.7 m -91.25 120.0 31.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.81 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.826 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -64.76 -9.86 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.49 3.8 50.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -129.86 21.2 5.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt 69.81 37.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.577 1.173 . . . . 0.0 109.354 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.826 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 10.2 m-90 41.4 71.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.027 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.944 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -121.63 -41.07 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 175.32 10.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -134.69 84.78 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.551 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -84.0 160.57 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.6 m -122.24 127.3 49.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.645 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.2 p -121.35 143.97 48.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.455 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.7 m-20 60.43 120.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -143.89 151.73 40.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -112.8 78.15 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.44 117.33 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.579 1.174 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -88.57 129.2 35.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 0.794 . . . . 0.0 109.214 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 59.03 32.81 22.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.59 -45.2 0.6 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.094 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -77.81 160.78 73.53 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 159.3 98.19 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.996 -0.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.37 47.17 8.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 173.12 80.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.265 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -28.04 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -67.91 -27.76 66.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -72.19 -26.26 61.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 39.6 m -79.43 -34.08 42.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 2.3 m-20 -71.54 -39.12 70.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 7.8 m120 -72.49 -36.65 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 18' ' ' ILE . 13.9 t60 -71.76 -29.39 64.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.563 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.476 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 88.4 m -79.48 -29.69 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -23.07 39.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -34.89 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.973 HD12 ' N ' ' A' ' 19' ' ' SER . 2.5 pp -73.72 -54.25 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.396 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.973 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.1 m 148.92 65.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -156.63 -176.7 6.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.295 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -92.0 -60.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -173.28 145.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' O ' ' OD1' ' A' ' 12' ' ' ASN . . . -120.73 173.51 15.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.683 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.2 p90 -140.79 150.56 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 26' ' ' ASP . 28.6 m -77.47 120.44 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.269 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -35.12 105.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.762 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -73.0 -1.5 17.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.04 6.66 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -129.69 15.71 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 mt 80.58 21.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.762 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 21.9 m-90 57.33 43.3 23.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -95.09 -31.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -86.67 -174.15 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 1' ' ' GLY . 1.6 m -156.61 95.24 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.52 129.85 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -84.8 118.02 24.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.683 HG21 ' CE2' ' A' ' 24' ' ' TYR . 26.3 p -112.36 146.29 38.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 6.8 m-20 61.13 128.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 m -148.69 154.78 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -99.94 74.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 74.19 1.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.03 140.37 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 0.754 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.498 ' H1 ' ' N ' ' A' ' 34' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.54 -44.15 91.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.71 -32.62 1.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.514 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 35.1 m -63.65 151.34 88.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.65 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.1 Cg_endo -75.08 159.01 98.55 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.012 0.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.07 53.96 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.412 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 t-20 176.41 79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -15.02 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.27 -29.2 19.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -28.27 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 92.0 m -71.5 -42.76 67.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 108.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 43.1 t-20 -63.46 -55.56 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.26 -41.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' SER . 51.5 t-80 -60.6 -53.58 55.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 38.1 m -50.91 -38.92 52.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 108.244 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.07 -29.49 67.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -68.93 -39.54 79.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.1 -20.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.223 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.5 m 88.44 66.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.63 -91.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 8.5 tpt85 -170.08 -68.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -175.59 140.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.42 -165.57 12.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.486 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.8 p90 -161.53 167.44 25.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.2 m -86.27 116.51 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.2 OUTLIER -39.35 97.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -62.6 -11.94 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.78 -1.15 55.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 29' ' ' THR . 0.9 OUTLIER -125.36 22.02 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' TRP . 50.8 mt 68.2 39.32 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.794 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 9.4 m-90 41.36 73.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.65 HD13 ' HD3' ' A' ' 5' ' ' PRO . 2.4 tp -125.96 -43.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 2.6 mtt85 -78.35 178.76 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.498 ' N ' ' H1 ' ' A' ' 1' ' ' GLY . 1.2 m -138.74 86.84 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.345 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.83 124.69 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -87.29 123.36 32.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.486 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.8 p -115.85 153.53 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 3.0 m-20 61.98 124.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -149.83 152.72 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.583 1.177 . . . . 0.0 108.246 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -89.52 72.57 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.74 72.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 159.04 43.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.265 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -83.5 11.36 7.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.35 -44.44 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.497 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -78.54 160.76 71.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.636 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.06 156.01 99.88 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.008 0.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 80.08 56.73 3.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 1.1 m-20 161.89 81.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.62 -29.16 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -24.81 61.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.58 -27.33 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 62.3 m -72.99 -32.62 65.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.621 ' ND2' ' HB1' ' A' ' 22' ' ' ALA . 2.1 m120 -76.51 -45.18 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.65 -26.28 67.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.469 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -77.14 -48.51 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.659 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 66.0 m -65.03 -22.9 67.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -83.46 -35.93 24.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.425 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 32.3 t -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.649 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.2 pt -80.22 -57.89 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.7 m 146.72 69.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.946 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -148.05 -165.31 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.497 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 9.2 tpp180 -97.43 -61.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HB1' ' ND2' ' A' ' 12' ' ' ASN . . . 176.81 143.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.65 177.37 16.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.625 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.1 p90 -144.08 163.51 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 37.8 m -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.4 OUTLIER -36.87 101.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.818 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -67.11 -6.98 19.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.3 3.44 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -128.76 20.35 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' TRP . 19.6 mt 71.27 36.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.818 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 12.1 m-90 42.39 70.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 tp -120.6 -41.1 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -80.34 -177.16 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 m -147.16 88.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.93 125.64 35.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.6 m -84.53 114.75 22.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.625 HG21 ' CE2' ' A' ' 24' ' ' TYR . 11.2 p -109.73 143.59 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 49.6 m-20 60.35 144.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 67.7 m -156.54 165.43 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.6 77.76 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.29 61.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.397 1.061 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.38 152.59 22.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.3 mptt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -159.87 41.77 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.4 -47.75 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -73.7 161.36 79.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.2 Cg_endo -75.06 161.29 95.1 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.989 0.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.33 50.53 8.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 170.96 78.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -90.69 -23.12 20.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -28.36 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -24.91 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.1 m -75.5 -43.46 48.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 17.3 t30 -63.16 -54.09 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.0 -42.95 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 18' ' ' ILE . 21.1 t60 -64.43 -31.0 72.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 99.0 m -69.18 -36.15 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -77.73 -21.9 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -80.95 -36.51 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.1 pt -76.85 -56.6 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.7 m 150.74 64.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -155.23 -172.74 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -96.4 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -171.36 149.13 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -132.69 -135.61 3.67 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 p90 179.34 -168.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.998 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ALA . 25.2 m -109.18 124.22 50.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.15 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.864 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.78 -5.21 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.89 2.59 35.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -126.7 29.38 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.401 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt 65.47 28.59 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.864 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 14.0 m-90 51.14 91.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 18.8 mt -142.9 -49.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -72.07 175.81 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.89 86.06 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.47 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -79.68 161.53 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 18' ' ' ILE . 94.1 m -129.54 118.78 22.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.435 HG23 ' HA2' ' A' ' 23' ' ' GLY . 12.7 p -112.4 151.4 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 60.15 115.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 m -138.17 147.85 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -94.63 75.23 3.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.1 51.13 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.156 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.87 158.9 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.204 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 2' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 4.7 m-85 -174.05 35.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.53 -31.04 2.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.499 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.02 152.7 37.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -74.96 160.93 95.82 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.009 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.28 -42.45 1.08 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.708 ' HB2' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -174.98 135.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -87.06 -4.25 59.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.708 HD23 ' HB2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -79.72 -27.08 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -30.58 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.7 m -73.35 -34.5 65.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 108.223 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -68.75 -52.95 25.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -55.56 -40.99 72.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -65.19 -41.34 94.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 86.7 m -64.1 -24.68 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -37.21 38.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.6 t -67.63 -38.79 84.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.622 ' O ' ' CB ' ' A' ' 19' ' ' SER . 9.1 pt -72.72 -57.42 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.622 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 t 149.25 69.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.2 m -155.36 176.03 13.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -87.62 -59.73 2.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.48 148.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.5 ' HA2' HG23 ' A' ' 37' ' ' THR . . . -130.28 -137.48 4.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.433 1.083 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.63 ' CZ ' HG21 ' A' ' 35' ' ' THR . 8.3 p90 179.59 -167.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.568 0.805 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 19.0 m -111.79 117.5 33.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.437 1.086 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.3 OUTLIER -35.71 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.827 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -65.35 -9.47 25.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.99 -1.66 48.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.541 HG23 ' HB2' ' A' ' 32' ' ' LEU . 1.3 t -122.08 10.51 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 29' ' ' THR . 15.9 mt 81.26 33.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.827 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 14.6 m-90 47.85 59.08 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.541 ' HB2' HG23 ' A' ' 29' ' ' THR . 3.6 mt -111.75 -35.39 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -84.4 175.68 9.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.01 85.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.63 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.64 160.44 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.3 m -129.3 120.12 25.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.5 HG23 ' HA2' ' A' ' 23' ' ' GLY . 8.9 p -114.75 146.5 40.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.6 m-20 60.2 123.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -145.94 150.38 35.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -77.08 68.74 3.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.71 107.83 2.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tttt 66.41 150.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -40.74 87.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.395 0.703 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -119.99 -32.83 1.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.449 1.093 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.481 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.6 m -71.34 159.41 85.61 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.3 Cg_endo -74.87 158.34 99.02 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.023 -0.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.02 49.23 8.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 4.3 t-20 173.45 78.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -91.03 -25.32 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -25.78 60.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 6.8 mttp -70.23 -27.43 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 65.2 m -73.22 -34.78 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.88 -49.48 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -60.86 -30.85 70.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -71.8 -52.6 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 61.3 m -61.18 -21.24 63.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -82.52 -35.14 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 3.9 t -69.62 -33.44 72.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.3 pt -78.89 -57.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.634 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 m 148.3 69.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -141.97 -157.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.539 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 5.6 tpt180 -117.31 -53.84 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.32 136.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -114.47 -167.53 15.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.668 ' HE2' HG21 ' A' ' 37' ' ' THR . 5.3 p90 -168.49 149.49 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.0 m -80.53 124.75 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 25' ' ' CYS . 1.4 t70 -35.35 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.867 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -72.8 -2.4 20.36 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.83 13.06 25.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -133.92 14.81 3.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 32' ' ' LEU . 15.5 mt 80.59 17.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.867 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 24.3 m-90 58.8 70.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' HB2' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -117.04 -41.76 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -81.59 178.31 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.245 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.21 86.55 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.555 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -81.31 162.52 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.472 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.2 m -124.54 125.2 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.668 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.5 p -122.77 146.16 47.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.539 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 31.2 m-20 60.45 135.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 32.4 m -156.38 163.53 39.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.519 1.137 . . . . 0.0 108.349 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -110.97 76.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.02 -68.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.93 136.8 1.56 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.552 0.795 . . . . 0.0 109.375 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.407 ' C ' ' HB2' ' A' ' 7' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.547 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 1.1 m -64.88 162.42 37.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -75.02 161.18 95.37 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.968 -2.514 . . . . 0.0 111.044 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.71 47.99 30.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.407 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 2.2 m-20 -176.6 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -22.96 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.577 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -79.33 -23.76 43.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -25.25 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -78.76 -33.5 46.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -73.49 -42.45 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.577 HD21 HD12 ' A' ' 9' ' ' LEU . 26.1 m-20 -69.57 -34.78 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.715 ' O ' HG23 ' A' ' 18' ' ' ILE . 14.4 t60 -72.58 -33.4 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.602 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 91.1 m -76.43 -27.18 56.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -82.06 -25.04 34.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -31.71 25.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.976 HD12 ' N ' ' A' ' 19' ' ' SER . 2.4 pp -78.28 -54.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.976 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.5 m 147.57 67.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -154.98 -171.67 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -101.54 -61.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -162.56 140.63 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -116.23 -158.51 11.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.652 ' HE2' HG21 ' A' ' 37' ' ' THR . 4.5 p90 -173.43 159.15 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ASP . 20.5 m -86.69 123.31 31.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 14.1 t0 -38.05 100.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.888 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -68.31 -7.05 27.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.83 1.84 43.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -124.28 24.04 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.6 mt 68.86 25.5 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.888 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 19.2 m-90 54.05 93.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD21 ' HG3' ' A' ' 5' ' ' PRO . 15.7 mt -143.91 -49.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -72.78 175.73 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.82 83.47 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.607 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.05 162.08 25.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -122.34 130.57 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.652 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -127.07 146.9 50.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ARG . 59.8 m-20 59.46 113.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 m -137.52 148.41 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.526 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -69.71 161.57 73.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.5 Cg_endo -74.97 158.48 98.97 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.004 -0.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.67 54.46 5.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 172.87 76.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.511 0.771 . . . . 0.0 109.19 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -90.93 -17.32 26.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -82.24 -23.1 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -26.26 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 47.1 m -77.95 -32.66 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.5 t-20 -78.84 -31.67 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.451 HD21 HD12 ' A' ' 9' ' ' LEU . 83.1 m-20 -77.47 -30.12 53.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.914 ' O ' HG23 ' A' ' 18' ' ' ILE . 9.9 t60 -81.36 -32.69 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' CYS . 89.8 m -76.36 -33.38 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 108.284 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.8 -27.93 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.8 t -77.27 -34.85 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 14' ' ' HIS . 11.0 pt -76.18 -55.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t 149.34 65.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.1 m -154.37 -175.82 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 108.247 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 5.1 mmt180 -88.63 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -173.95 146.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -116.87 179.21 17.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.631 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.5 p90 -144.75 161.82 38.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 22.6 m -84.82 115.74 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -37.87 100.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.833 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.74 -5.84 27.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.02 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 29' ' ' THR . 0.6 OUTLIER -125.91 29.08 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.6 mt 64.19 34.26 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.833 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 10.2 m-90 45.2 87.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 32.3 mt -139.31 -53.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -71.34 -179.21 2.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -143.65 89.17 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 108.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.538 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -84.18 131.09 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 18' ' ' ILE . 51.2 m -87.02 117.39 25.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.631 HG21 ' HE2' ' A' ' 24' ' ' TYR . 2.5 p -112.83 143.82 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 13.1 m-20 61.07 139.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 m -155.51 160.44 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 38.9 m -69.22 150.81 97.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.752 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.6 Cg_endo -74.94 157.52 99.55 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.69 57.9 3.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.415 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 1.1 m-20 167.82 79.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -91.37 -19.08 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.537 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -86.24 -24.88 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 4.1 tttt -71.63 -21.82 61.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 77.7 m -78.94 -37.03 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.243 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -74.47 -36.46 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.537 HD21 HD12 ' A' ' 9' ' ' LEU . 63.7 m-20 -72.01 -35.52 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.749 ' O ' HG23 ' A' ' 18' ' ' ILE . 15.6 t60 -74.01 -33.2 63.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 92.5 m -74.25 -31.08 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -80.34 -25.38 39.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 -34.42 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.024 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.749 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.6 pt -77.95 -57.5 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 m 148.71 67.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -151.96 -174.35 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 13.1 mtp180 -91.81 -61.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -171.48 146.63 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.7 -176.89 16.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.692 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.8 p90 -151.93 166.84 30.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 27' ' ' ALA . 22.6 m -90.24 114.9 27.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.2 OUTLIER -37.98 98.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.801 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -63.59 -10.99 21.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.7 1.1 53.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -127.58 23.06 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.403 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' TRP . 44.0 mt 67.96 38.67 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.801 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 9.4 m-90 41.66 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.752 HD13 ' HD3' ' A' ' 5' ' ' PRO . 1.7 tp -125.93 -44.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -74.66 177.98 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.25 85.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 108.283 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.51 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -85.81 133.16 33.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 18' ' ' ILE . 63.2 m -94.36 115.55 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.692 HG21 ' CE2' ' A' ' 24' ' ' TYR . 52.1 p -111.08 143.63 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 1.2 m-20 61.52 130.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 m -149.63 152.21 35.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.285 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 77.0 m -76.29 149.94 82.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.1 Cg_endo -75.02 154.78 99.85 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.98 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 82.56 61.44 1.97 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 1.9 m-20 159.28 80.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -13.8 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.418 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -89.35 -25.11 21.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -71.9 -22.57 61.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 85.8 m -77.56 -39.67 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -72.54 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.418 HD21 HD12 ' A' ' 9' ' ' LEU . 73.0 m-20 -68.6 -40.12 80.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.669 ' O ' HG23 ' A' ' 18' ' ' ILE . 7.1 t60 -70.89 -34.49 71.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.56 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 91.3 m -71.78 -28.47 63.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 108.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.93 -27.21 36.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -78.16 -33.77 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.5 pt -78.14 -56.77 6.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.1 t 150.69 67.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.939 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -152.31 174.55 13.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 2.0 mmt180 -86.45 -60.23 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -169.65 143.85 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -118.47 -154.57 9.73 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.645 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.6 p90 -174.9 167.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.598 0.822 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ALA . 20.7 m -91.25 120.0 31.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.81 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.826 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -64.76 -9.86 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.49 3.8 50.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -129.86 21.2 5.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt 69.81 37.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.577 1.173 . . . . 0.0 109.354 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.826 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 10.2 m-90 41.4 71.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.027 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.944 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -121.63 -41.07 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 175.32 10.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.69 84.78 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.551 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -84.0 160.57 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.6 m -122.24 127.3 49.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.645 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.2 p -121.35 143.97 48.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.455 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.7 m-20 60.43 120.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -143.89 151.73 40.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -77.81 160.78 73.53 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 159.3 98.19 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.996 -0.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.37 47.17 8.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 173.12 80.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.265 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -28.04 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -67.91 -27.76 66.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -72.19 -26.26 61.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 39.6 m -79.43 -34.08 42.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 2.3 m-20 -71.54 -39.12 70.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' LEU . 32.9 m-20 -72.49 -36.65 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 18' ' ' ILE . 13.9 t60 -71.76 -29.39 64.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.563 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 88.4 m -79.48 -29.69 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -23.07 39.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -34.89 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.973 HD12 ' N ' ' A' ' 19' ' ' SER . 2.5 pp -73.72 -54.25 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.396 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.973 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.1 m 148.92 65.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -156.63 -176.7 6.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.295 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -92.0 -60.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -173.28 145.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' O ' ' OD1' ' A' ' 12' ' ' ASN . . . -120.73 173.51 15.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.683 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.2 p90 -140.79 150.56 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 26' ' ' ASP . 28.6 m -77.47 120.44 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.269 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -35.12 105.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.762 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -73.0 -1.5 17.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.04 6.66 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -129.69 15.71 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 mt 80.58 21.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.762 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 21.9 m-90 57.33 43.3 23.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -95.09 -31.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -86.67 -174.15 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 m -156.61 95.24 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.52 129.85 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -84.8 118.02 24.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.683 HG21 ' CE2' ' A' ' 24' ' ' TYR . 26.3 p -112.36 146.29 38.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.461 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 6.8 m-20 61.13 128.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 m -148.69 154.78 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.514 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 35.1 m -63.65 151.34 88.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.65 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.1 Cg_endo -75.08 159.01 98.55 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.012 0.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.07 53.96 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.412 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 t-20 176.41 79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -15.02 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.27 -29.2 19.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -28.27 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 92.0 m -71.5 -42.76 67.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 108.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 43.1 t-20 -63.46 -55.56 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.26 -41.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' SER . 80.0 t60 -60.6 -53.58 55.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 38.1 m -50.91 -38.92 52.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 108.244 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.07 -29.49 67.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -68.93 -39.54 79.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.1 -20.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.223 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.5 m 88.44 66.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.63 -91.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 8.5 tpt85 -170.08 -68.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -175.59 140.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.42 -165.57 12.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.486 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.8 p90 -161.53 167.44 25.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.2 m -86.27 116.51 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.2 OUTLIER -39.35 97.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -62.6 -11.94 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.78 -1.15 55.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 29' ' ' THR . 0.9 OUTLIER -125.36 22.02 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' TRP . 50.8 mt 68.2 39.32 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.794 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 9.4 m-90 41.36 73.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.65 HD13 ' HD3' ' A' ' 5' ' ' PRO . 2.4 tp -125.96 -43.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 2.6 mtt85 -78.35 178.76 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -138.74 86.84 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.345 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.83 124.69 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -87.29 123.36 32.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.486 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.8 p -115.85 153.53 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 3.0 m-20 61.98 124.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -149.83 152.72 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.583 1.177 . . . . 0.0 108.246 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.497 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -78.54 160.76 71.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.636 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.06 156.01 99.88 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.008 0.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 80.08 56.73 3.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER 161.89 81.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.62 -29.16 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -24.81 61.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.58 -27.33 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 62.3 m -72.99 -32.62 65.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.621 ' ND2' ' HB1' ' A' ' 22' ' ' ALA . 2.1 m120 -76.51 -45.18 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -65.65 -26.28 67.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.469 ' O ' HG23 ' A' ' 18' ' ' ILE . 4.3 t60 -77.14 -48.51 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.659 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 66.0 m -65.03 -22.9 67.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -83.46 -35.93 24.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.425 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 32.3 t -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.649 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.2 pt -80.22 -57.89 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.7 m 146.72 69.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.946 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -148.05 -165.31 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.497 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 9.2 tpp180 -97.43 -61.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HB1' ' ND2' ' A' ' 12' ' ' ASN . . . 176.81 143.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.65 177.37 16.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.625 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.1 p90 -144.08 163.51 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 37.8 m -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.454 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.4 OUTLIER -36.87 101.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.818 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -67.11 -6.98 19.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.3 3.44 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -128.76 20.35 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' TRP . 19.6 mt 71.27 36.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.818 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 12.1 m-90 42.39 70.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 tp -120.6 -41.1 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -80.34 -177.16 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 m -147.16 88.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.93 125.64 35.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.6 m -84.53 114.75 22.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.625 HG21 ' CE2' ' A' ' 24' ' ' TYR . 11.2 p -109.73 143.59 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 49.6 m-20 60.35 144.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 67.7 m -156.54 165.43 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -73.7 161.36 79.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.2 Cg_endo -75.06 161.29 95.1 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.989 0.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.33 50.53 8.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 170.96 78.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -90.69 -23.12 20.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.552 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.72 -28.36 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -24.91 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.1 m -75.5 -43.46 48.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 17.3 t30 -63.16 -54.09 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.552 HD21 HD12 ' A' ' 9' ' ' LEU . 12.6 m-20 -56.0 -42.95 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 18' ' ' ILE . 21.1 t60 -64.43 -31.0 72.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 99.0 m -69.18 -36.15 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -77.73 -21.9 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -80.95 -36.51 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.1 pt -76.85 -56.6 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.7 m 150.74 64.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -155.23 -172.74 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -96.4 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -171.36 149.13 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -132.69 -135.61 3.67 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 p90 179.34 -168.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.998 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ALA . 25.2 m -109.18 124.22 50.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.15 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.864 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.78 -5.21 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.89 2.59 35.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -126.7 29.38 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.401 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt 65.47 28.59 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.864 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 14.0 m-90 51.14 91.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.497 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 18.8 mt -142.9 -49.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -72.07 175.81 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.89 86.06 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.47 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -79.68 161.53 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 18' ' ' ILE . 94.1 m -129.54 118.78 22.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.435 HG23 ' HA2' ' A' ' 23' ' ' GLY . 12.7 p -112.4 151.4 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 60.15 115.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 m -138.17 147.85 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.499 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.02 152.7 37.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -74.96 160.93 95.82 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.009 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.28 -42.45 1.08 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.708 ' HB2' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -174.98 135.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -87.06 -4.25 59.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.708 HD23 ' HB2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -79.72 -27.08 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -30.58 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.7 m -73.35 -34.5 65.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 108.223 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -68.75 -52.95 25.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -55.56 -40.99 72.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -65.19 -41.34 94.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 86.7 m -64.1 -24.68 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -37.21 38.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.6 t -67.63 -38.79 84.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.622 ' O ' ' CB ' ' A' ' 19' ' ' SER . 9.1 pt -72.72 -57.42 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.622 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 t 149.25 69.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.2 m -155.36 176.03 13.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -87.62 -59.73 2.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.48 148.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.5 ' HA2' HG23 ' A' ' 37' ' ' THR . . . -130.28 -137.48 4.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.433 1.083 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.63 ' CZ ' HG21 ' A' ' 35' ' ' THR . 8.3 p90 179.59 -167.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.568 0.805 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 19.0 m -111.79 117.5 33.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.437 1.086 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.3 OUTLIER -35.71 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.827 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -65.35 -9.47 25.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.99 -1.66 48.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.541 HG23 ' HB2' ' A' ' 32' ' ' LEU . 1.3 t -122.08 10.51 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 29' ' ' THR . 15.9 mt 81.26 33.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.827 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 14.6 m-90 47.85 59.08 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.541 ' HB2' HG23 ' A' ' 29' ' ' THR . 3.6 mt -111.75 -35.39 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -84.4 175.68 9.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.01 85.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.63 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.64 160.44 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.3 m -129.3 120.12 25.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.5 HG23 ' HA2' ' A' ' 23' ' ' GLY . 8.9 p -114.75 146.5 40.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.6 m-20 60.2 123.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -145.94 150.38 35.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.481 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.6 m -71.34 159.41 85.61 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.3 Cg_endo -74.87 158.34 99.02 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.023 -0.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.02 49.23 8.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 4.3 t-20 173.45 78.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -91.03 -25.32 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.431 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -73.5 -25.78 60.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 6.8 mttp -70.23 -27.43 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 65.2 m -73.22 -34.78 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.88 -49.48 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.431 HD21 HD12 ' A' ' 9' ' ' LEU . 21.1 m-20 -60.86 -30.85 70.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -71.8 -52.6 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.511 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 61.3 m -61.18 -21.24 63.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -82.52 -35.14 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 3.9 t -69.62 -33.44 72.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.3 pt -78.89 -57.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.634 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 m 148.3 69.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -141.97 -157.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.539 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 5.6 tpt180 -117.31 -53.84 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.32 136.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -114.47 -167.53 15.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.668 ' HE2' HG21 ' A' ' 37' ' ' THR . 5.3 p90 -168.49 149.49 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.0 m -80.53 124.75 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 25' ' ' CYS . 1.4 t70 -35.35 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.867 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -72.8 -2.4 20.36 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.83 13.06 25.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -133.92 14.81 3.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 32' ' ' LEU . 15.5 mt 80.59 17.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.867 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 24.3 m-90 58.8 70.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' HB2' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -117.04 -41.76 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -81.59 178.31 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.245 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.21 86.55 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.555 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -81.31 162.52 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.472 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.2 m -124.54 125.2 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.668 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.5 p -122.77 146.16 47.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.539 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 31.2 m-20 60.45 135.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 32.4 m -156.38 163.53 39.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.519 1.137 . . . . 0.0 108.349 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 33' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -167.26 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' C ' ' HB2' ' A' ' 7' ' ' ASN . . . 161.55 -48.36 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.547 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 1.1 m -64.88 162.42 37.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -75.02 161.18 95.37 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.968 -2.514 . . . . 0.0 111.044 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.71 47.99 30.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.407 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 2.2 m-20 -176.6 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -22.96 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.577 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -79.33 -23.76 43.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -25.25 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -78.76 -33.5 46.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -73.49 -42.45 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.577 HD21 HD12 ' A' ' 9' ' ' LEU . 26.1 m-20 -69.57 -34.78 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.715 ' O ' HG23 ' A' ' 18' ' ' ILE . 14.4 t60 -72.58 -33.4 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.602 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 91.1 m -76.43 -27.18 56.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -82.06 -25.04 34.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -31.71 25.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.976 HD12 ' N ' ' A' ' 19' ' ' SER . 2.4 pp -78.28 -54.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.976 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.5 m 147.57 67.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -154.98 -171.67 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -101.54 -61.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -162.56 140.63 8.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -116.23 -158.51 11.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.652 ' HE2' HG21 ' A' ' 37' ' ' THR . 4.5 p90 -173.43 159.15 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ASP . 20.5 m -86.69 123.31 31.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 14.1 t0 -38.05 100.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.888 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -68.31 -7.05 27.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.83 1.84 43.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -124.28 24.04 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.6 mt 68.86 25.5 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.888 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 19.2 m-90 54.05 93.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD21 ' HG3' ' A' ' 5' ' ' PRO . 15.7 mt -143.91 -49.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HA ' ' CA ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -72.78 175.73 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.82 83.47 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.607 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.05 162.08 25.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -122.34 130.57 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.652 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -127.07 146.9 50.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ARG . 59.8 m-20 59.46 113.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 m -137.52 148.41 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -110.77 77.97 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.06 59.56 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 124.43 20.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -89.31 22.57 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.78 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.26 -44.18 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.425 1.078 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.526 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -69.71 161.57 73.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.5 Cg_endo -74.97 158.48 98.97 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.004 -0.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.67 54.46 5.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 172.87 76.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.511 0.771 . . . . 0.0 109.19 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -90.93 -17.32 26.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -82.24 -23.1 35.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -26.26 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 47.1 m -77.95 -32.66 51.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.5 t-20 -78.84 -31.67 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.451 HD21 HD12 ' A' ' 9' ' ' LEU . 83.1 m-20 -77.47 -30.12 53.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.914 ' O ' HG23 ' A' ' 18' ' ' ILE . 9.9 t60 -81.36 -32.69 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' CYS . 89.8 m -76.36 -33.38 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 108.284 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.8 -27.93 36.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.8 t -77.27 -34.85 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 14' ' ' HIS . 11.0 pt -76.18 -55.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t 149.34 65.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.1 m -154.37 -175.82 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 108.247 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 5.1 mmt180 -88.63 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -173.95 146.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -116.87 179.21 17.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.631 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.5 p90 -144.75 161.82 38.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 22.6 m -84.82 115.74 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -37.87 100.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.833 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.74 -5.84 27.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.02 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 29' ' ' THR . 0.6 OUTLIER -125.91 29.08 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.6 mt 64.19 34.26 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.833 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 10.2 m-90 45.2 87.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 32.3 mt -139.31 -53.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -71.34 -179.21 2.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -143.65 89.17 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 108.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.538 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -84.18 131.09 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 18' ' ' ILE . 51.2 m -87.02 117.39 25.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.631 HG21 ' HE2' ' A' ' 24' ' ' TYR . 2.5 p -112.83 143.82 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 13.1 m-20 61.07 139.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 m -155.51 160.44 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 108.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.77 74.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.89 -157.13 28.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.61 115.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.246 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.93 34.98 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 0.816 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.29 -49.13 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 38.9 m -69.22 150.81 97.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.752 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.6 Cg_endo -74.94 157.52 99.55 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.69 57.9 3.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 1.1 m-20 167.82 79.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -91.37 -19.08 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -86.24 -24.88 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 4.1 tttt -71.63 -21.82 61.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 77.7 m -78.94 -37.03 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.243 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -74.47 -36.46 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.537 HD21 HD12 ' A' ' 9' ' ' LEU . 63.7 m-20 -72.01 -35.52 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.749 ' O ' HG23 ' A' ' 18' ' ' ILE . 15.6 t60 -74.01 -33.2 63.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 92.5 m -74.25 -31.08 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -80.34 -25.38 39.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 -34.42 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.024 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.749 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.6 pt -77.95 -57.5 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 m 148.71 67.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -151.96 -174.35 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 13.1 mtp180 -91.81 -61.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -171.48 146.63 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.7 -176.89 16.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.692 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.8 p90 -151.93 166.84 30.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 27' ' ' ALA . 22.6 m -90.24 114.9 27.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.2 OUTLIER -37.98 98.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.801 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -63.59 -10.99 21.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.7 1.1 53.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -127.58 23.06 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.403 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' TRP . 44.0 mt 67.96 38.67 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.801 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 9.4 m-90 41.66 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.752 HD13 ' HD3' ' A' ' 5' ' ' PRO . 1.7 tp -125.93 -44.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -74.66 177.98 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.25 85.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 108.283 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.51 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -85.81 133.16 33.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 18' ' ' ILE . 63.2 m -94.36 115.55 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.692 HG21 ' CE2' ' A' ' 24' ' ' TYR . 52.1 p -111.08 143.63 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 1.2 m-20 61.52 130.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 m -149.63 152.21 35.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.285 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -93.45 71.88 4.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.61 51.83 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm 56.37 72.81 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.445 0.732 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.42 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 41.7 m-85 -72.84 -16.34 61.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.77 -43.5 0.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 77.0 m -76.29 149.94 82.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.1 Cg_endo -75.02 154.78 99.85 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.98 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 82.56 61.44 1.97 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 1.9 m-20 159.28 80.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -13.8 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.418 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -89.35 -25.11 21.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -71.9 -22.57 61.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 85.8 m -77.56 -39.67 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -72.54 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.418 HD21 HD12 ' A' ' 9' ' ' LEU . 73.0 m-20 -68.6 -40.12 80.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.669 ' O ' HG23 ' A' ' 18' ' ' ILE . 7.1 t60 -70.89 -34.49 71.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.56 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 91.3 m -71.78 -28.47 63.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 108.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.93 -27.21 36.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -78.16 -33.77 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.5 pt -78.14 -56.77 6.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.1 t 150.69 67.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.939 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.3 m -152.31 174.55 13.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 2.0 mmt180 -86.45 -60.23 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -169.65 143.85 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -118.47 -154.57 9.73 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.645 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.6 p90 -174.9 167.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.598 0.822 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ALA . 20.7 m -91.25 120.0 31.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.81 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.826 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -64.76 -9.86 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.49 3.8 50.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -129.86 21.2 5.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt 69.81 37.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.577 1.173 . . . . 0.0 109.354 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.826 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 10.2 m-90 41.4 71.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.027 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.944 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -121.63 -41.07 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 175.32 10.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -134.69 84.78 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.551 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -84.0 160.57 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.6 m -122.24 127.3 49.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.645 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.2 p -121.35 143.97 48.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.455 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.7 m-20 60.43 120.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -143.89 151.73 40.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -112.8 78.15 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.44 117.33 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.579 1.174 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -88.57 129.2 35.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 0.794 . . . . 0.0 109.214 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 59.03 32.81 22.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.59 -45.2 0.6 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.094 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -77.81 160.78 73.53 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 159.3 98.19 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.996 -0.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.37 47.17 8.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 173.12 80.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.265 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -28.04 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -67.91 -27.76 66.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -72.19 -26.26 61.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 39.6 m -79.43 -34.08 42.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 2.3 m-20 -71.54 -39.12 70.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' LEU . 32.9 m-20 -72.49 -36.65 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 18' ' ' ILE . 13.9 t60 -71.76 -29.39 64.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.563 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.476 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 88.4 m -79.48 -29.69 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -23.07 39.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -34.89 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.973 HD12 ' N ' ' A' ' 19' ' ' SER . 2.5 pp -73.72 -54.25 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.396 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.973 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.1 m 148.92 65.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -156.63 -176.7 6.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.295 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -92.0 -60.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -173.28 145.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' O ' ' OD1' ' A' ' 12' ' ' ASN . . . -120.73 173.51 15.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.683 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.2 p90 -140.79 150.56 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 26' ' ' ASP . 28.6 m -77.47 120.44 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.269 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.3 OUTLIER -35.12 105.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.762 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -73.0 -1.5 17.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.04 6.66 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -129.69 15.71 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 mt 80.58 21.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.762 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 21.9 m-90 57.33 43.3 23.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -95.09 -31.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -86.67 -174.15 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 1' ' ' GLY . 1.6 m -156.61 95.24 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.52 129.85 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -84.8 118.02 24.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.683 HG21 ' CE2' ' A' ' 24' ' ' TYR . 26.3 p -112.36 146.29 38.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' CB ' ' HB2' ' A' ' 21' ' ' ARG . 6.8 m-20 61.13 128.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 m -148.69 154.78 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -99.94 74.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 74.19 1.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.03 140.37 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 0.754 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.498 ' H1 ' ' N ' ' A' ' 34' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.54 -44.15 91.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.71 -32.62 1.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.514 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 35.1 m -63.65 151.34 88.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.65 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.1 Cg_endo -75.08 159.01 98.55 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.012 0.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.07 53.96 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.412 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 t-20 176.41 79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -15.02 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.27 -29.2 19.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -28.27 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 92.0 m -71.5 -42.76 67.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 108.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 43.1 t-20 -63.46 -55.56 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.26 -41.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' SER . 80.0 t60 -60.6 -53.58 55.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 38.1 m -50.91 -38.92 52.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 108.244 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.07 -29.49 67.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -68.93 -39.54 79.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.1 -20.56 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.223 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.5 m 88.44 66.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.63 -91.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 8.5 tpt85 -170.08 -68.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' OG1' ' A' ' 37' ' ' THR . . . -175.59 140.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.42 -165.57 12.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.486 ' HE2' HG21 ' A' ' 37' ' ' THR . 6.8 p90 -161.53 167.44 25.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.2 m -86.27 116.51 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.2 OUTLIER -39.35 97.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -62.6 -11.94 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.78 -1.15 55.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 29' ' ' THR . 0.9 OUTLIER -125.36 22.02 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' TRP . 50.8 mt 68.2 39.32 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.794 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 9.4 m-90 41.36 73.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.65 HD13 ' HD3' ' A' ' 5' ' ' PRO . 2.4 tp -125.96 -43.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 2.6 mtt85 -78.35 178.76 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.498 ' N ' ' H1 ' ' A' ' 1' ' ' GLY . 1.2 m -138.74 86.84 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.345 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.83 124.69 34.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -87.29 123.36 32.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.486 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.8 p -115.85 153.53 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 3.0 m-20 61.98 124.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -149.83 152.72 35.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.583 1.177 . . . . 0.0 108.246 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -89.52 72.57 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.74 72.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 159.04 43.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.265 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -83.5 11.36 7.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.35 -44.44 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.497 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -78.54 160.76 71.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.636 ' HD3' HD13 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.06 156.01 99.88 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.008 0.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 7' ' ' ASN . . . 80.08 56.73 3.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER 161.89 81.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.62 -29.16 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -24.81 61.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.58 -27.33 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 62.3 m -72.99 -32.62 65.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.621 ' ND2' ' HB1' ' A' ' 22' ' ' ALA . 2.1 m120 -76.51 -45.18 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -65.65 -26.28 67.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.469 ' O ' HG23 ' A' ' 18' ' ' ILE . 4.3 t60 -77.14 -48.51 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.659 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 66.0 m -65.03 -22.9 67.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -83.46 -35.93 24.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.425 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 32.3 t -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.649 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.2 pt -80.22 -57.89 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.7 m 146.72 69.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.946 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -148.05 -165.31 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.497 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 9.2 tpp180 -97.43 -61.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HB1' ' ND2' ' A' ' 12' ' ' ASN . . . 176.81 143.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 35' ' ' THR . . . -119.65 177.37 16.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.625 ' CE2' HG21 ' A' ' 37' ' ' THR . 6.1 p90 -144.08 163.51 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 37.8 m -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.4 OUTLIER -36.87 101.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.818 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -67.11 -6.98 19.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.3 3.44 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -128.76 20.35 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' TRP . 19.6 mt 71.27 36.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.818 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 12.1 m-90 42.39 70.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 tp -120.6 -41.1 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -80.34 -177.16 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 m -147.16 88.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.93 125.64 35.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.6 m -84.53 114.75 22.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.625 HG21 ' CE2' ' A' ' 24' ' ' TYR . 11.2 p -109.73 143.59 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 49.6 m-20 60.35 144.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 67.7 m -156.54 165.43 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.6 77.76 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.29 61.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.397 1.061 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.38 152.59 22.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.3 mptt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -159.87 41.77 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.4 -47.75 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -73.7 161.36 79.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 18.2 Cg_endo -75.06 161.29 95.1 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.989 0.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.33 50.53 8.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 170.96 78.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -90.69 -23.12 20.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.552 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.72 -28.36 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -24.91 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.1 m -75.5 -43.46 48.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 17.3 t30 -63.16 -54.09 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.552 HD21 HD12 ' A' ' 9' ' ' LEU . 12.6 m-20 -56.0 -42.95 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 18' ' ' ILE . 21.1 t60 -64.43 -31.0 72.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 99.0 m -69.18 -36.15 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -77.73 -21.9 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -80.95 -36.51 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 14' ' ' HIS . 8.1 pt -76.85 -56.6 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 1.7 m 150.74 64.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -155.23 -172.74 4.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -96.4 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -171.36 149.13 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -132.69 -135.61 3.67 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 p90 179.34 -168.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.998 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ALA . 25.2 m -109.18 124.22 50.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -38.15 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.864 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -69.78 -5.21 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.89 2.59 35.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -126.7 29.38 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.401 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt 65.47 28.59 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.864 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 14.0 m-90 51.14 91.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' CD2' ' HG3' ' A' ' 5' ' ' PRO . 18.8 mt -142.9 -49.03 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -72.07 175.81 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.89 86.06 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.47 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -79.68 161.53 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 18' ' ' ILE . 94.1 m -129.54 118.78 22.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.435 HG23 ' HA2' ' A' ' 23' ' ' GLY . 12.7 p -112.4 151.4 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 60.15 115.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 m -138.17 147.85 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -94.63 75.23 3.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.1 51.13 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.156 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.87 158.9 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.204 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 2' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 4.7 m-85 -174.05 35.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.53 -31.04 2.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.499 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.02 152.7 37.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.4 Cg_endo -74.96 160.93 95.82 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.009 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.28 -42.45 1.08 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.708 ' HB2' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -174.98 135.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -87.06 -4.25 59.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.708 HD23 ' HB2' ' A' ' 7' ' ' ASN . 0.4 OUTLIER -79.72 -27.08 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -30.58 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 72.7 m -73.35 -34.5 65.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 108.223 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -68.75 -52.95 25.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -55.56 -40.99 72.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -65.19 -41.34 94.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 86.7 m -64.1 -24.68 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -37.21 38.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.6 t -67.63 -38.79 84.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.622 ' O ' ' CB ' ' A' ' 19' ' ' SER . 9.1 pt -72.72 -57.42 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.622 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 t 149.25 69.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.2 m -155.36 176.03 13.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -87.62 -59.73 2.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.48 148.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.5 ' HA2' HG23 ' A' ' 37' ' ' THR . . . -130.28 -137.48 4.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.433 1.083 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.63 ' CZ ' HG21 ' A' ' 35' ' ' THR . 8.3 p90 179.59 -167.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.568 0.805 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 19.0 m -111.79 117.5 33.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.437 1.086 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 25' ' ' CYS . 0.3 OUTLIER -35.71 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.827 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -65.35 -9.47 25.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.99 -1.66 48.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.541 HG23 ' HB2' ' A' ' 32' ' ' LEU . 1.3 t -122.08 10.51 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 29' ' ' THR . 15.9 mt 81.26 33.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.827 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 14.6 m-90 47.85 59.08 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.541 ' HB2' HG23 ' A' ' 29' ' ' THR . 3.6 mt -111.75 -35.39 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -84.4 175.68 9.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.01 85.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.63 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -80.64 160.44 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.3 m -129.3 120.12 25.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.5 HG23 ' HA2' ' A' ' 23' ' ' GLY . 8.9 p -114.75 146.5 40.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' THR . 4.6 m-20 60.2 123.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -145.94 150.38 35.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -77.08 68.74 3.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.71 107.83 2.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tttt 66.41 150.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -40.74 87.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.395 0.703 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -119.99 -32.83 1.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.449 1.093 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.481 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.6 m -71.34 159.41 85.61 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 4' ' ' CYS . 18.3 Cg_endo -74.87 158.34 99.02 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.023 -0.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.02 49.23 8.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 10' ' ' LYS . 4.3 t-20 173.45 78.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -91.03 -25.32 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 HD12 HD21 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -73.5 -25.78 60.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 6.8 mttp -70.23 -27.43 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 65.2 m -73.22 -34.78 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.88 -49.48 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.431 HD21 HD12 ' A' ' 9' ' ' LEU . 21.1 m-20 -60.86 -30.85 70.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -71.8 -52.6 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 61.3 m -61.18 -21.24 63.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -82.52 -35.14 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 3.9 t -69.62 -33.44 72.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 19' ' ' SER . 8.3 pt -78.89 -57.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.634 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.3 m 148.3 69.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -141.97 -157.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.539 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 5.6 tpt180 -117.31 -53.84 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 37' ' ' THR . . . -176.32 136.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 35' ' ' THR . . . -114.47 -167.53 15.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.668 ' HE2' HG21 ' A' ' 37' ' ' THR . 5.3 p90 -168.49 149.49 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.0 m -80.53 124.75 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 25' ' ' CYS . 1.4 t70 -35.35 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.867 ' HB1' ' CZ2' ' A' ' 31' ' ' TRP . . . -72.8 -2.4 20.36 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.83 13.06 25.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -133.92 14.81 3.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 32' ' ' LEU . 15.5 mt 80.59 17.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.867 ' CZ2' ' HB1' ' A' ' 27' ' ' ALA . 24.3 m-90 58.8 70.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' HB2' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -117.04 -41.76 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -81.59 178.31 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.245 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.21 86.55 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.555 HG21 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -81.31 162.52 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.472 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.2 m -124.54 125.2 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.668 HG21 ' HE2' ' A' ' 24' ' ' TYR . 1.5 p -122.77 146.16 47.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.539 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 31.2 m-20 60.45 135.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 32.4 m -156.38 163.53 39.36 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.519 1.137 . . . . 0.0 108.349 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -110.97 76.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.02 -68.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.93 136.8 1.56 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.552 0.795 . . . . 0.0 109.375 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 stop_ save_