data_2jwm_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 2jwm _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 ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.32 -39.97 3.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.54 165.55 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.466 HG21 ' CD1' ' A' ' 21' ' ' ILE . 2.1 p -130.2 150.33 51.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 20.1 p -111.98 45.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.79 -26.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -89.94 -34.37 16.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.88 8.68 4.58 Favored Glycine 0 C--N 1.285 -2.298 0 O-C-N 124.299 1.0 . . . . 0.0 111.047 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 16.9 m -126.16 163.22 23.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 110.444 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.44 144.19 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 108.239 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.89 -20.08 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 m -100.29 113.87 26.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.46 149.76 45.31 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.98 -16.54 56.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.48 134.39 43.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -89.48 147.16 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.08 91.19 5.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -98.98 68.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 174.246 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.589 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.6 t90 -34.78 145.33 0.19 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 108.082 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.589 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.05 -16.25 21.47 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.936 -2.527 . . . . 0.0 111.024 -8.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 4' ' ' THR . 3.1 mm -93.65 160.96 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.248 -170.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 80.4 m -102.02 126.89 49.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 108.221 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -113.84 158.6 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -126.35 103.03 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 62.39 26.22 15.65 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 86.41 42.21 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -150.07 120.15 3.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.06 3.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.21 -37.02 3.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -69.88 169.0 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p -131.75 150.8 52.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -115.66 42.06 2.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.427 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.55 -26.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -91.35 -34.2 14.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.3 18.14 2.57 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 177.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.1 m -135.57 160.56 38.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.9 m -121.17 157.99 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -102.53 -24.54 13.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -100.23 116.41 32.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.08 150.52 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.05 -16.52 55.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.9 130.89 45.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 145.28 25.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -76.65 90.19 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.92 67.75 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.577 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 9.7 t90 -34.6 145.03 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -74.97 -15.79 21.83 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.031 -8.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 18' ' ' SER . 3.7 mm -93.81 161.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -170.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.406 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 57.3 m -101.83 130.18 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.89 162.13 18.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.2 ttm180 -128.43 89.68 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 1.1 m120 75.85 24.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.242 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.67 34.05 8.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -141.98 121.53 8.05 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.61 3.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.96 -41.65 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.83 167.72 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.453 ' CG2' HD12 ' A' ' 21' ' ' ILE . 3.3 p -133.24 151.07 51.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' THR . 25.4 p -113.76 45.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.426 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.1 -26.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mt -89.72 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.604 1.19 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.24 5.77 5.5 Favored Glycine 0 C--N 1.286 -2.242 0 O-C-N 124.312 1.007 . . . . 0.0 110.936 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 37.0 m -122.98 159.57 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 0.723 . . . . 0.0 110.442 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.3 m -122.44 147.3 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.271 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -90.64 -36.7 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 m -85.99 110.54 19.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.89 148.78 42.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.47 -16.78 59.16 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.17 138.71 33.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.67 143.01 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -80.26 86.79 5.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.606 1.191 . . . . 0.0 108.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.528 ' O ' ' C ' ' A' ' 19' ' ' TRP . 43.0 t -94.85 67.82 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.579 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.94 145.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.579 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.07 -15.48 22.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.979 -8.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.453 HD12 ' CG2' ' A' ' 4' ' ' THR . 30.2 mm -92.47 155.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.3 m -101.79 130.17 48.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 108.267 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -109.67 175.0 5.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 45.7 ttt180 -139.26 87.24 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 10.3 m-80 77.26 24.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.76 35.4 7.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -146.65 124.08 5.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.2 Cg_endo -75.02 54.42 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.16 -38.56 3.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 4' ' ' THR . 75.3 tt0 -69.73 165.55 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 21' ' ' ILE . 2.6 p -129.14 151.17 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.466 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.9 p -118.53 43.94 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 108.361 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.437 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.36 -27.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -89.65 -33.03 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.81 21.0 3.02 Favored Glycine 0 C--N 1.298 -1.551 0 O-C-N 124.678 1.236 . . . . 0.0 110.932 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 23.7 m -135.65 160.46 38.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.8 m -132.07 142.05 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -89.59 -36.63 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -78.41 110.21 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -63.11 144.63 56.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.45 -14.18 64.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.44 132.48 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.81 145.58 25.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.46 90.06 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 108.301 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.4 70.84 2.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.932 174.192 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.67 146.17 0.16 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.14 . . . . 0.0 107.95 -174.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.621 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -75.0 -15.47 22.24 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.051 -8.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CD1' HG22 ' A' ' 4' ' ' THR . 3.4 mm -96.89 163.81 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 84.2 m -101.18 137.13 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.267 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.32 161.62 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -128.0 98.93 5.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.077 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' ND2' ' HG2' ' A' ' 24' ' ' ARG . 19.5 m-80 69.09 23.07 6.62 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.26 41.15 5.9 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.5 mt -149.17 125.07 5.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.596 0.821 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 54.39 3.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.45 -41.45 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.96 164.03 24.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p -126.14 151.64 47.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.9 p -114.58 42.98 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.431 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.0 -26.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 110.446 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mt -90.2 -35.98 15.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.65 18.81 2.38 Favored Glycine 0 C--N 1.294 -1.774 0 O-C-N 124.581 1.176 . . . . 0.0 111.024 176.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.444 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 36.3 m -134.85 159.32 41.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.423 ' N ' HG23 ' A' ' 9' ' ' THR . 66.4 m -120.18 157.04 29.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -104.81 -31.75 9.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -89.82 116.75 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -61.6 150.35 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.11 -13.99 60.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.61 145.47 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 144.71 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.32 90.02 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 2.3 p -97.33 68.51 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.583 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.4 t90 -34.69 145.25 0.19 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.534 1.146 . . . . 0.0 108.047 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.583 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -16.03 21.53 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.022 -8.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.464 ' CG2' ' HE3' ' A' ' 23' ' ' LYS . 2.2 mm -93.78 160.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -170.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.5 m -101.69 123.64 46.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 174.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -112.84 160.37 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -128.18 103.67 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 61.38 27.56 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.421 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 85.6 42.04 7.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.424 1.078 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 21.0 mt -149.66 118.81 3.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 55.31 3.94 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.3 -40.31 3.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.06 163.87 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.463 HG23 ' CD1' ' A' ' 21' ' ' ILE . 4.7 p -125.93 152.47 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 11.8 p -116.75 43.13 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.431 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.64 -26.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -90.56 -34.72 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.39 21.05 2.56 Favored Glycine 0 C--N 1.295 -1.736 0 O-C-N 124.722 1.264 . . . . 0.0 111.039 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 67.7 m -134.22 157.21 46.85 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 0.745 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.429 ' N ' HG21 ' A' ' 9' ' ' THR . 62.2 m -124.58 144.08 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 108.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -89.59 -40.93 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 m -80.51 115.91 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.92 151.63 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.04 48.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -96.67 130.05 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.53 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.21 89.27 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 108.286 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.02 67.23 3.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.026 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.571 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.5 t90 -34.79 144.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 108.041 -174.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.98 -15.81 21.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.921 -8.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 4' ' ' THR . 47.9 mm -92.66 159.7 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -170.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 5' ' ' CYS . 52.4 m -101.66 128.61 47.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.315 173.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.4 159.35 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -126.9 98.86 5.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 66.15 25.42 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.45 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 88.14 41.3 6.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 22.6 mt -149.72 121.6 4.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 0.796 . . . . 0.0 109.265 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 54.42 3.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.11 -38.29 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.55 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.5 tt0 -69.68 165.41 21.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 1.8 p -129.76 151.49 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 p -119.61 44.31 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.428 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.05 -25.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -89.94 -34.45 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.66 15.49 3.25 Favored Glycine 0 C--N 1.29 -2.007 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.427 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 92.0 m -133.84 157.16 46.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 0.833 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -124.84 144.58 50.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 11.6 m-30 -89.49 -36.82 15.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -79.17 111.64 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -63.42 144.27 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.1 -15.75 61.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.074 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.42 133.12 47.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.6 146.04 24.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -79.35 91.27 5.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 108.329 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.533 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -98.7 69.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 174.152 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.614 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.6 t90 -35.1 146.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.01 -15.81 21.9 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.995 -8.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' SER . 18.9 mm -94.97 161.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -170.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.431 ' N ' HG21 ' A' ' 21' ' ' ILE . 91.4 m -100.82 133.74 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 108.334 173.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.58 156.91 29.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -121.53 96.2 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 70.74 23.73 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.42 40.73 5.96 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -146.62 122.07 5.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.402 0.707 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.66 -40.01 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.78 167.97 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.47 ' CG2' HD11 ' A' ' 21' ' ' ILE . 2.0 p -132.93 151.01 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 9' ' ' THR . 21.6 p -114.35 47.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.43 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.97 -25.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.468 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mt -90.91 -34.12 15.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.44 5.31 5.56 Favored Glycine 0 C--N 1.29 -1.976 0 O-C-N 124.275 0.984 . . . . 0.0 111.03 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 63.0 m -120.99 158.73 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -116.18 159.89 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -105.14 -27.02 11.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.404 HG21 ' NH2' ' A' ' 24' ' ' ARG . 20.7 m -100.21 117.8 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -61.76 151.32 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -16.99 47.15 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 m -96.88 133.0 42.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.54 143.75 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -80.09 90.11 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.2 t -98.66 70.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.942 174.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.598 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.48 145.71 0.17 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -174.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.9 -16.21 21.24 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.997 -8.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.47 HD11 ' CG2' ' A' ' 4' ' ' THR . 3.1 mm -95.08 158.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.32 129.43 48.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 108.31 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -113.08 163.89 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 ttm105 -129.17 95.13 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 1.4 m120 72.76 24.7 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.89 36.02 8.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 mt -145.69 124.36 6.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.794 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.41 -41.17 2.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.432 1.082 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 166.29 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.46 HG23 ' CD1' ' A' ' 21' ' ' ILE . 19.4 p -125.28 170.99 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -140.61 43.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.439 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -47.51 -28.65 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mt -89.78 -28.31 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 117.78 20.53 4.54 Favored Glycine 0 C--N 1.288 -2.111 0 O-C-N 124.731 1.269 . . . . 0.0 111.024 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 61.4 m -130.07 157.86 41.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.2 m -126.94 146.54 50.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.53 -39.99 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m -82.7 110.68 17.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.0 153.37 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.63 -16.79 48.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.403 1.064 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.28 134.22 41.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.55 144.44 26.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.45 90.35 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 108.223 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 70.1 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 173.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.577 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 15.4 t90 -34.52 145.24 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.0 -16.69 20.91 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -8.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 4' ' ' THR . 19.1 mm -94.45 163.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -170.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' N ' HG22 ' A' ' 21' ' ' ILE . 90.3 m -100.7 144.57 29.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 173.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 1.8 mptp? -129.73 153.73 47.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 13.0 ttt85 -116.38 101.28 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 24' ' ' ARG . 2.9 m-80 63.34 24.24 14.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.16 44.12 4.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -149.66 120.62 4.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.0 Cg_endo -75.08 53.86 3.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 55.7 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.14 -41.26 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.554 1.159 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.407 ' OE1' ' OG1' ' A' ' 12' ' ' THR . 24.1 pt-20 -69.84 163.8 25.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 p -130.11 150.73 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 8' ' ' GLY . 17.2 p -115.04 46.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.409 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.4 -25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.58 -31.86 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.25 4.39 6.48 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.385 1.053 . . . . 0.0 110.997 177.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 26.1 m -119.12 152.14 37.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 m -110.01 147.24 33.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -103.63 20.37 18.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 3' ' ' GLU . 91.1 m -147.56 111.06 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.7 149.9 33.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.49 -15.5 61.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.7 m -102.03 151.73 21.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.06 143.71 32.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.44 86.48 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.537 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.7 t -95.2 68.03 3.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.616 1.197 . . . . 0.0 109.984 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.579 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.0 t90 -34.48 145.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 -174.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.579 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -15.7 21.89 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.956 -8.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' SER . 19.7 mm -93.4 156.57 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -170.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.49 132.57 47.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -110.08 173.18 6.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 59.9 ttt-85 -134.77 80.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 4.3 m-20 80.66 21.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.35 35.28 5.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -147.63 123.35 5.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.1 Cg_endo -75.05 55.03 3.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.17 -36.03 3.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.0 tt0 -70.21 165.52 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 3.3 p -128.6 152.18 48.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.0 p -123.73 43.04 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.368 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.433 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.12 -26.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.465 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -90.31 -33.36 16.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.75 23.87 2.69 Favored Glycine 0 C--N 1.293 -1.846 0 O-C-N 124.66 1.225 . . . . 0.0 110.995 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.43 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 34.6 m -136.39 153.03 51.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 0.746 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 95.1 m -128.79 141.42 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.192 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -89.53 -42.94 11.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -70.25 110.38 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.6 144.74 56.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.11 -13.31 67.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.16 131.08 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.52 143.82 26.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.5 89.31 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 108.37 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 69.59 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 174.217 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.603 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.8 t90 -34.89 145.82 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.026 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.603 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.0 Cg_endo -75.03 -15.6 22.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.975 -8.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' SER . 2.6 mm -94.68 160.65 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -170.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' N ' HG23 ' A' ' 21' ' ' ILE . 84.8 m -100.75 130.48 46.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 108.255 173.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.46 160.89 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 13.6 ttt85 -126.06 97.5 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.236 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' ND2' ' HG2' ' A' ' 24' ' ' ARG . 13.5 m-80 70.51 21.86 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.8 40.89 5.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -148.19 124.93 5.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.223 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 20.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.1 -43.02 1.9 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.71 165.14 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p -125.51 151.55 46.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.0 p -114.13 43.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.351 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.53 -26.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mt -90.18 -32.71 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.42 15.89 3.59 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 177.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 17.2 m -130.71 162.73 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.461 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.63 141.73 51.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 108.228 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.46 -19.81 24.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -100.22 115.25 29.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.28 151.34 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.34 -13.27 55.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 111.043 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.35 142.42 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.53 90.32 4.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.525 ' CB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -96.72 70.85 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.036 173.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.633 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.8 t90 -36.25 146.8 0.2 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 107.991 -174.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.633 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.03 -15.28 22.52 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.979 -9.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 18' ' ' SER . 10.9 mm -92.0 155.6 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -170.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.9 m -92.86 142.96 26.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.256 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' CG ' ' CB ' ' A' ' 18' ' ' SER . 6.0 mmmm -121.35 169.3 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.9 ttt180 -134.59 76.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 7.0 m-20 80.78 21.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 97.78 35.74 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 22.5 mt -150.2 124.57 4.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.421 ' N ' ' HE2' ' A' ' 23' ' ' LYS . 18.3 Cg_endo -75.09 54.62 3.74 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.16 -39.16 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.413 1.07 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.76 165.07 22.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.466 ' CG2' HD11 ' A' ' 21' ' ' ILE . 4.7 p -131.28 150.86 51.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 9' ' ' THR . 18.1 p -117.36 47.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.349 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.428 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -47.33 -25.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -92.91 -29.59 15.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.55 4.02 8.34 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.696 1.248 . . . . 0.0 110.959 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 93.1 m -117.73 156.81 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.2 m -122.26 148.8 44.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -93.33 -37.75 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.3 m -84.73 110.62 18.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -62.47 147.97 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.75 -17.16 59.18 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.38 138.44 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.65 142.63 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.41 89.36 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.264 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.4 t -98.05 70.57 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 173.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.583 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.8 t90 -34.69 145.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.583 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.05 -16.74 20.92 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.029 -8.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 4' ' ' THR . 50.0 mm -93.51 157.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -170.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.83 125.25 48.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.78 162.32 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.44 105.85 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 62.74 24.63 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.06 37.46 8.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -146.15 121.93 5.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 54.59 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.99 -35.04 3.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.545 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.3 tt0 -72.42 165.15 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 2.6 p -131.68 150.46 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 15.9 p -119.87 49.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.433 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -91.61 -32.84 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.75 10.33 5.91 Favored Glycine 0 C--N 1.29 -2.028 0 O-C-N 124.302 1.001 . . . . 0.0 110.927 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.442 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 1.9 m -122.89 143.39 49.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 110.34 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.1 m -115.87 139.73 49.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.344 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.545 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 13.4 m-30 -89.55 -30.61 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -82.74 110.14 17.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -66.09 139.55 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.84 -11.34 60.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.566 1.166 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.57 137.05 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.5 144.05 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -80.12 86.74 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 19' ' ' TRP . 42.1 t -95.14 68.71 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 174.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 17.3 t90 -34.83 145.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.019 -174.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.581 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.06 -15.59 22.25 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.974 -8.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' SER . 4.8 mm -93.38 155.97 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -170.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -101.66 129.58 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 108.329 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 172.93 6.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -138.83 92.35 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 73.67 22.85 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.83 37.13 6.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 mt -148.3 124.53 5.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.41 0.712 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.73 -32.78 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' THR . 81.1 tt0 -71.93 165.35 24.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 1.9 p -129.77 151.09 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.2 p -119.96 44.59 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.91 -25.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.57 -33.56 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.91 19.2 3.37 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.301 1.0 . . . . 0.0 111.0 177.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.433 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 89.9 m -131.64 154.86 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 0.717 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -129.53 140.95 51.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.49 -42.38 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -71.49 110.45 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -62.98 147.46 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.38 -11.96 70.64 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -104.24 131.76 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 144.96 25.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.93 89.07 4.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 108.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -96.04 69.17 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 174.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.585 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.7 t90 -34.57 145.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 108.023 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.01 -16.17 21.5 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.998 -8.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' SER . 9.3 mm -94.05 159.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 -170.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -101.09 125.07 47.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 108.318 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -111.0 162.15 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -129.12 103.3 6.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 62.18 22.38 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 90.87 40.69 5.51 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -149.65 121.06 4.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.405 0.709 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.14 54.19 3.63 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.46 -37.06 3.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 4' ' ' THR . 79.6 tt0 -70.03 165.22 22.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 2.6 p -130.8 150.81 51.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.2 p -116.02 43.61 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.43 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.71 -26.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.26 -33.45 15.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.379 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.53 19.14 3.18 Favored Glycine 0 C--N 1.293 -1.811 0 O-C-N 124.36 1.037 . . . . 0.0 110.931 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.431 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 98.7 m -133.92 156.08 48.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 0.743 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.424 ' N ' HG23 ' A' ' 9' ' ' THR . 87.7 m -129.26 140.7 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.47 -39.95 13.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -72.07 110.16 6.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.445 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.81 141.29 58.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.67 -14.98 60.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.03 142.6 33.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.85 143.68 28.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.74 90.0 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.541 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.56 68.54 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.054 174.121 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.58 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.3 t90 -34.5 145.04 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.58 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.06 -16.2 21.55 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.991 -8.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' SER . 4.3 mm -93.98 160.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 84.8 m -101.53 125.36 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 173.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -111.93 160.02 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -127.14 104.17 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 61.39 26.83 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 85.71 42.2 6.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 21.6 mt -149.94 120.15 3.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.31 3.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.85 -32.74 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 4' ' ' THR . 80.7 tt0 -73.65 165.28 25.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 0.805 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 21' ' ' ILE . 2.2 p -128.95 151.15 49.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 8' ' ' GLY . 8.9 p -122.37 42.65 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.435 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.83 -26.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -90.81 -33.93 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.34 24.2 2.47 Favored Glycine 0 C--N 1.294 -1.764 0 O-C-N 124.753 1.283 . . . . 0.0 110.978 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.2 m -137.43 152.04 49.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 0.765 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.6 m -127.32 141.73 51.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -89.62 -43.52 10.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.1 m -70.68 110.58 5.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.34 145.27 55.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.64 -15.19 63.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.84 131.05 50.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.56 144.04 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.79 88.95 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.362 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.44 69.85 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 174.025 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.598 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.5 t90 -34.82 145.69 0.18 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -174.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.03 -15.86 21.87 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.971 -8.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 4' ' ' THR . 32.3 mm -94.47 160.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' N ' HG21 ' A' ' 21' ' ' ILE . 87.2 m -100.73 127.46 47.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 173.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.79 158.89 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -124.27 104.9 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 62.02 23.72 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.03 42.18 5.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -147.85 121.68 4.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 53.74 3.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.4 -33.49 4.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.5 tt0 -71.48 165.22 24.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 0.815 . . . . 0.0 110.244 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.463 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 2.3 p -131.12 150.75 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 13.0 p -119.74 46.12 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.434 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.03 -24.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.63 -33.71 14.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.22 15.44 3.77 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 124.398 1.061 . . . . 0.0 111.021 177.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.438 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 32.4 m -128.64 152.2 48.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.9 m -125.87 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.238 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.66 -42.36 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -71.12 110.01 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.23 139.22 58.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.12 -14.62 57.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 2.0 m -103.22 134.67 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.7 143.06 27.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.83 89.18 4.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.5 t -97.01 70.52 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.595 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.3 t90 -34.64 145.7 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.595 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.0 -15.95 21.72 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -9.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CD1' HG21 ' A' ' 4' ' ' THR . 50.8 mm -94.79 158.31 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -170.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -101.87 129.71 48.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 165.71 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -132.28 99.26 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 67.19 25.83 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.8 40.09 7.3 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.1 mt -149.51 121.64 4.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.81 3.44 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.236 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.36 -35.64 3.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 78.4 tt0 -70.49 164.82 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 2.1 p -131.08 150.97 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 8' ' ' GLY . 14.6 p -116.93 47.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.439 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -91.75 -33.8 14.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.47 12.06 4.34 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.444 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 54.1 m -126.05 157.57 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.3 m -129.08 142.07 51.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -89.54 -39.42 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.6 m -75.29 109.84 9.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.32 142.65 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 -14.03 62.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.429 1.08 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.66 135.03 45.03 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.53 143.39 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -80.2 89.32 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.543 ' O ' ' C ' ' A' ' 19' ' ' TRP . 18.4 t -98.66 71.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 174.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.598 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.1 t90 -34.41 145.68 0.16 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -174.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.93 -16.65 20.82 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.082 -2.466 . . . . 0.0 110.996 -8.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.459 ' O ' ' O ' ' A' ' 18' ' ' SER . 3.2 mm -95.49 159.53 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -102.26 128.43 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -115.05 156.03 25.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.45 100.69 6.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 0.8 OUTLIER 69.69 26.67 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.99 37.62 12.55 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -145.57 122.38 6.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.572 0.807 . . . . 0.0 109.404 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.07 -3.49 61.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 4' ' ' THR . 29.1 tt0 -86.11 167.08 15.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 0.721 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 3.2 p -132.69 150.65 52.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.5 p -138.6 46.82 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.427 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -47.88 -27.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -90.34 -28.76 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.59 9.8 7.5 Favored Glycine 0 C--N 1.289 -2.046 0 O-C-N 124.722 1.264 . . . . 0.0 111.027 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 34.1 m -119.26 153.09 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 17' ' ' CYS . 34.8 m -125.22 127.62 47.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -88.73 25.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -139.32 109.81 6.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.78 139.66 57.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.246 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.07 -10.79 62.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.08 135.46 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.72 142.81 27.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -80.46 87.21 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.5 73.58 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 173.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.603 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 19.7 t90 -34.23 145.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 -174.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.603 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.96 -16.38 21.17 Favored 'Cis proline' 0 C--N 1.358 1.078 0 C-N-CA 121.097 -2.459 . . . . 0.0 111.007 -8.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 22' ' ' CYS . 3.5 mm -97.81 165.89 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -170.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 64.2 m -100.46 138.46 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 108.242 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.3 157.59 31.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.7 101.12 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 62.82 25.07 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.222 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 89.4 44.81 4.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 23.5 mt -150.61 118.83 3.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.17 3.26 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.32 -39.97 3.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.54 165.55 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.466 HG21 ' CD1' ' A' ' 21' ' ' ILE . 2.1 p -130.2 150.33 51.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 20.1 p -111.98 45.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.79 -26.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -89.94 -34.37 16.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.88 8.68 4.58 Favored Glycine 0 C--N 1.285 -2.298 0 O-C-N 124.299 1.0 . . . . 0.0 111.047 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 16.9 m -126.16 163.22 23.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 110.444 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.44 144.19 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 108.239 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.89 -20.08 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 m -100.29 113.87 26.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.46 149.76 45.31 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.98 -16.54 56.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.48 134.39 43.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -89.48 147.16 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.08 91.19 5.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -98.98 68.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 174.246 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.589 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.6 t90 -34.78 145.33 0.19 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 108.082 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.589 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.05 -16.25 21.47 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.936 -2.527 . . . . 0.0 111.024 -8.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 4' ' ' THR . 3.1 mm -93.65 160.96 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.248 -170.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 80.4 m -102.02 126.89 49.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 108.221 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -113.84 158.6 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -126.35 103.03 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 62.39 26.22 15.65 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 86.41 42.21 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -150.07 120.15 3.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.06 3.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.21 -37.02 3.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -69.88 169.0 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p -131.75 150.8 52.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -115.66 42.06 2.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.427 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.55 -26.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -91.35 -34.2 14.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.3 18.14 2.57 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 177.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.1 m -135.57 160.56 38.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.9 m -121.17 157.99 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -102.53 -24.54 13.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -100.23 116.41 32.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.08 150.52 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.05 -16.52 55.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.9 130.89 45.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 145.28 25.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -76.65 90.19 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.92 67.75 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.577 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 9.7 t90 -34.6 145.03 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -74.97 -15.79 21.83 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.031 -8.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 18' ' ' SER . 3.7 mm -93.81 161.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -170.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.406 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 57.3 m -101.83 130.18 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.89 162.13 18.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.2 ttm180 -128.43 89.68 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 1.1 m120 75.85 24.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.242 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.67 34.05 8.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -141.98 121.53 8.05 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.61 3.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.96 -41.65 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.83 167.72 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.453 ' CG2' HD12 ' A' ' 21' ' ' ILE . 3.3 p -133.24 151.07 51.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' THR . 25.4 p -113.76 45.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.426 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.1 -26.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mt -89.72 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.604 1.19 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.24 5.77 5.5 Favored Glycine 0 C--N 1.286 -2.242 0 O-C-N 124.312 1.007 . . . . 0.0 110.936 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 37.0 m -122.98 159.57 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 0.723 . . . . 0.0 110.442 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.3 m -122.44 147.3 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.271 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -90.64 -36.7 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 m -85.99 110.54 19.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.89 148.78 42.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.47 -16.78 59.16 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.17 138.71 33.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.67 143.01 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -80.26 86.79 5.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.606 1.191 . . . . 0.0 108.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.528 ' O ' ' C ' ' A' ' 19' ' ' TRP . 43.0 t -94.85 67.82 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.579 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.94 145.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.579 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.07 -15.48 22.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.979 -8.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.453 HD12 ' CG2' ' A' ' 4' ' ' THR . 30.2 mm -92.47 155.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.3 m -101.79 130.17 48.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 108.267 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -109.67 175.0 5.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 45.7 ttt180 -139.26 87.24 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 10.3 m-80 77.26 24.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.76 35.4 7.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -146.65 124.08 5.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.2 Cg_endo -75.02 54.42 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.16 -38.56 3.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 4' ' ' THR . 75.3 tt0 -69.73 165.55 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 21' ' ' ILE . 2.6 p -129.14 151.17 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.466 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.9 p -118.53 43.94 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 108.361 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.437 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.36 -27.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -89.65 -33.03 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.81 21.0 3.02 Favored Glycine 0 C--N 1.298 -1.551 0 O-C-N 124.678 1.236 . . . . 0.0 110.932 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 23.7 m -135.65 160.46 38.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.8 m -132.07 142.05 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -89.59 -36.63 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -78.41 110.21 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -63.11 144.63 56.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.45 -14.18 64.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.44 132.48 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.81 145.58 25.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.46 90.06 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 108.301 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.4 70.84 2.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.932 174.192 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.67 146.17 0.16 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.14 . . . . 0.0 107.95 -174.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.621 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -75.0 -15.47 22.24 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.051 -8.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CD1' HG22 ' A' ' 4' ' ' THR . 3.4 mm -96.89 163.81 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 84.2 m -101.18 137.13 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.267 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.32 161.62 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -128.0 98.93 5.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.077 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' ND2' ' HG2' ' A' ' 24' ' ' ARG . 19.5 m-80 69.09 23.07 6.62 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.26 41.15 5.9 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.5 mt -149.17 125.07 5.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.596 0.821 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 54.39 3.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.45 -41.45 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.96 164.03 24.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p -126.14 151.64 47.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.9 p -114.58 42.98 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.431 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.0 -26.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 110.446 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mt -90.2 -35.98 15.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.65 18.81 2.38 Favored Glycine 0 C--N 1.294 -1.774 0 O-C-N 124.581 1.176 . . . . 0.0 111.024 176.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.444 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 36.3 m -134.85 159.32 41.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.423 ' N ' HG23 ' A' ' 9' ' ' THR . 66.4 m -120.18 157.04 29.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -104.81 -31.75 9.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -89.82 116.75 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -61.6 150.35 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.11 -13.99 60.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.61 145.47 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 144.71 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.32 90.02 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 2.3 p -97.33 68.51 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.583 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.4 t90 -34.69 145.25 0.19 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.534 1.146 . . . . 0.0 108.047 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.583 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -16.03 21.53 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.022 -8.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.464 ' CG2' ' HE3' ' A' ' 23' ' ' LYS . 2.2 mm -93.78 160.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -170.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.5 m -101.69 123.64 46.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 174.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -112.84 160.37 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -128.18 103.67 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 61.38 27.56 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.421 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 85.6 42.04 7.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.424 1.078 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 21.0 mt -149.66 118.81 3.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 55.31 3.94 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.3 -40.31 3.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.06 163.87 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.463 HG23 ' CD1' ' A' ' 21' ' ' ILE . 4.7 p -125.93 152.47 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 11.8 p -116.75 43.13 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.431 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.64 -26.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -90.56 -34.72 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.39 21.05 2.56 Favored Glycine 0 C--N 1.295 -1.736 0 O-C-N 124.722 1.264 . . . . 0.0 111.039 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 67.7 m -134.22 157.21 46.85 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 0.745 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' N ' HG21 ' A' ' 9' ' ' THR . 62.2 m -124.58 144.08 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 108.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -89.59 -40.93 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 m -80.51 115.91 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.92 151.63 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.04 48.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -96.67 130.05 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.53 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.21 89.27 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 108.286 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.02 67.23 3.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.026 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.571 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.5 t90 -34.79 144.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 108.041 -174.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.98 -15.81 21.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.921 -8.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 4' ' ' THR . 47.9 mm -92.66 159.7 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -170.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 5' ' ' CYS . 52.4 m -101.66 128.61 47.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.315 173.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.4 159.35 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -126.9 98.86 5.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 66.15 25.42 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.45 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 88.14 41.3 6.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 22.6 mt -149.72 121.6 4.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 0.796 . . . . 0.0 109.265 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 54.42 3.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.11 -38.29 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.55 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.5 tt0 -69.68 165.41 21.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 1.8 p -129.76 151.49 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 p -119.61 44.31 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.428 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.05 -25.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -89.94 -34.45 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.66 15.49 3.25 Favored Glycine 0 C--N 1.29 -2.007 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.427 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 92.0 m -133.84 157.16 46.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 0.833 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -124.84 144.58 50.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 11.6 m-30 -89.49 -36.82 15.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -79.17 111.64 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -63.42 144.27 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.1 -15.75 61.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.074 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.42 133.12 47.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.6 146.04 24.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -79.35 91.27 5.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 108.329 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.533 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -98.7 69.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 174.152 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.614 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.6 t90 -35.1 146.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.01 -15.81 21.9 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.995 -8.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' SER . 18.9 mm -94.97 161.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -170.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.431 ' N ' HG21 ' A' ' 21' ' ' ILE . 91.4 m -100.82 133.74 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 108.334 173.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.58 156.91 29.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -121.53 96.2 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 70.74 23.73 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.42 40.73 5.96 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -146.62 122.07 5.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.402 0.707 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.66 -40.01 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.78 167.97 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.47 ' CG2' HD11 ' A' ' 21' ' ' ILE . 2.0 p -132.93 151.01 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 9' ' ' THR . 21.6 p -114.35 47.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.43 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.97 -25.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.468 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mt -90.91 -34.12 15.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.44 5.31 5.56 Favored Glycine 0 C--N 1.29 -1.976 0 O-C-N 124.275 0.984 . . . . 0.0 111.03 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 63.0 m -120.99 158.73 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -116.18 159.89 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -105.14 -27.02 11.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.404 HG21 ' NH2' ' A' ' 24' ' ' ARG . 20.7 m -100.21 117.8 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -61.76 151.32 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -16.99 47.15 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 m -96.88 133.0 42.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.54 143.75 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -80.09 90.11 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.2 t -98.66 70.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.942 174.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.598 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.48 145.71 0.17 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -174.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.9 -16.21 21.24 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.997 -8.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.47 HD11 ' CG2' ' A' ' 4' ' ' THR . 3.1 mm -95.08 158.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.32 129.43 48.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 108.31 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -113.08 163.89 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 ttm105 -129.17 95.13 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 1.4 m120 72.76 24.7 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.89 36.02 8.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 mt -145.69 124.36 6.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.794 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.41 -41.17 2.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.432 1.082 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 166.29 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.46 HG23 ' CD1' ' A' ' 21' ' ' ILE . 19.4 p -125.28 170.99 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -140.61 43.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.439 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -47.51 -28.65 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mt -89.78 -28.31 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 117.78 20.53 4.54 Favored Glycine 0 C--N 1.288 -2.111 0 O-C-N 124.731 1.269 . . . . 0.0 111.024 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 61.4 m -130.07 157.86 41.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.2 m -126.94 146.54 50.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.53 -39.99 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m -82.7 110.68 17.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.0 153.37 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.63 -16.79 48.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.403 1.064 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.28 134.22 41.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.55 144.44 26.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.45 90.35 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 108.223 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 70.1 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 173.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.577 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 15.4 t90 -34.52 145.24 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.0 -16.69 20.91 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -8.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 4' ' ' THR . 19.1 mm -94.45 163.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -170.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' N ' HG22 ' A' ' 21' ' ' ILE . 90.3 m -100.7 144.57 29.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 173.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 1.8 mptp? -129.73 153.73 47.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 13.0 ttt85 -116.38 101.28 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 24' ' ' ARG . 2.9 m-80 63.34 24.24 14.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.16 44.12 4.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -149.66 120.62 4.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.0 Cg_endo -75.08 53.86 3.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 55.7 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.14 -41.26 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.554 1.159 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' OE1' ' OG1' ' A' ' 12' ' ' THR . 24.1 pt-20 -69.84 163.8 25.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 p -130.11 150.73 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 8' ' ' GLY . 17.2 p -115.04 46.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.409 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.4 -25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.58 -31.86 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.25 4.39 6.48 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.385 1.053 . . . . 0.0 110.997 177.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 26.1 m -119.12 152.14 37.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 m -110.01 147.24 33.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -103.63 20.37 18.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 3' ' ' GLU . 91.1 m -147.56 111.06 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.7 149.9 33.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.49 -15.5 61.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.7 m -102.03 151.73 21.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.06 143.71 32.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.44 86.48 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.537 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.7 t -95.2 68.03 3.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.616 1.197 . . . . 0.0 109.984 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.579 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.0 t90 -34.48 145.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 -174.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.579 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -15.7 21.89 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.956 -8.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' SER . 19.7 mm -93.4 156.57 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -170.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.49 132.57 47.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -110.08 173.18 6.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 59.9 ttt-85 -134.77 80.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 4.3 m-20 80.66 21.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.35 35.28 5.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -147.63 123.35 5.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.1 Cg_endo -75.05 55.03 3.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.17 -36.03 3.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.0 tt0 -70.21 165.52 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 3.3 p -128.6 152.18 48.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.0 p -123.73 43.04 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.368 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.433 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.12 -26.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.465 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -90.31 -33.36 16.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.75 23.87 2.69 Favored Glycine 0 C--N 1.293 -1.846 0 O-C-N 124.66 1.225 . . . . 0.0 110.995 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.43 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 34.6 m -136.39 153.03 51.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 0.746 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 95.1 m -128.79 141.42 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.192 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -89.53 -42.94 11.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -70.25 110.38 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.6 144.74 56.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.11 -13.31 67.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.16 131.08 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.52 143.82 26.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.5 89.31 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 108.37 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 69.59 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 174.217 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.603 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.8 t90 -34.89 145.82 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.026 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.603 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.0 Cg_endo -75.03 -15.6 22.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.975 -8.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' SER . 2.6 mm -94.68 160.65 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -170.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' N ' HG23 ' A' ' 21' ' ' ILE . 84.8 m -100.75 130.48 46.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 108.255 173.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.46 160.89 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 13.6 ttt85 -126.06 97.5 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.236 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' ND2' ' HG2' ' A' ' 24' ' ' ARG . 13.5 m-80 70.51 21.86 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.8 40.89 5.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -148.19 124.93 5.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.223 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 20.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.1 -43.02 1.9 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.71 165.14 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p -125.51 151.55 46.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.0 p -114.13 43.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.351 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.53 -26.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mt -90.18 -32.71 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.42 15.89 3.59 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 177.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 17.2 m -130.71 162.73 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.461 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.63 141.73 51.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 108.228 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.46 -19.81 24.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -100.22 115.25 29.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.28 151.34 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.34 -13.27 55.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 111.043 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.35 142.42 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.53 90.32 4.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.525 ' CB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -96.72 70.85 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.036 173.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.633 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.8 t90 -36.25 146.8 0.2 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 107.991 -174.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.633 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.03 -15.28 22.52 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.979 -9.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 18' ' ' SER . 10.9 mm -92.0 155.6 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -170.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.9 m -92.86 142.96 26.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.256 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' CG ' ' CB ' ' A' ' 18' ' ' SER . 6.0 mmmm -121.35 169.3 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.9 ttt180 -134.59 76.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 7.0 m-20 80.78 21.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 97.78 35.74 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 22.5 mt -150.2 124.57 4.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.421 ' N ' ' HE2' ' A' ' 23' ' ' LYS . 18.3 Cg_endo -75.09 54.62 3.74 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.16 -39.16 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.413 1.07 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.76 165.07 22.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.466 ' CG2' HD11 ' A' ' 21' ' ' ILE . 4.7 p -131.28 150.86 51.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 9' ' ' THR . 18.1 p -117.36 47.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.349 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.428 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -47.33 -25.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -92.91 -29.59 15.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.55 4.02 8.34 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.696 1.248 . . . . 0.0 110.959 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 93.1 m -117.73 156.81 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.2 m -122.26 148.8 44.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -93.33 -37.75 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.3 m -84.73 110.62 18.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -62.47 147.97 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.75 -17.16 59.18 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.38 138.44 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.65 142.63 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.41 89.36 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.264 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.4 t -98.05 70.57 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 173.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.583 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.8 t90 -34.69 145.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.583 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.05 -16.74 20.92 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.029 -8.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 4' ' ' THR . 50.0 mm -93.51 157.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -170.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.83 125.25 48.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.78 162.32 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.44 105.85 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 62.74 24.63 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.06 37.46 8.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -146.15 121.93 5.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 54.59 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.99 -35.04 3.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.545 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.3 tt0 -72.42 165.15 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 2.6 p -131.68 150.46 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 15.9 p -119.87 49.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.433 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -91.61 -32.84 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.75 10.33 5.91 Favored Glycine 0 C--N 1.29 -2.028 0 O-C-N 124.302 1.001 . . . . 0.0 110.927 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.442 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 1.9 m -122.89 143.39 49.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 110.34 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.1 m -115.87 139.73 49.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.344 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.545 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 13.4 m-30 -89.55 -30.61 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -82.74 110.14 17.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -66.09 139.55 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.84 -11.34 60.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.566 1.166 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.57 137.05 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.5 144.05 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -80.12 86.74 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 19' ' ' TRP . 42.1 t -95.14 68.71 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 174.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 17.3 t90 -34.83 145.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.019 -174.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.581 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.06 -15.59 22.25 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.974 -8.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' SER . 4.8 mm -93.38 155.97 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -170.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -101.66 129.58 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 108.329 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 172.93 6.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -138.83 92.35 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 73.67 22.85 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.83 37.13 6.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 mt -148.3 124.53 5.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.41 0.712 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.73 -32.78 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' THR . 81.1 tt0 -71.93 165.35 24.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 1.9 p -129.77 151.09 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.2 p -119.96 44.59 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.91 -25.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.57 -33.56 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.91 19.2 3.37 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.301 1.0 . . . . 0.0 111.0 177.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.433 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 89.9 m -131.64 154.86 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 0.717 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -129.53 140.95 51.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.49 -42.38 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -71.49 110.45 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -62.98 147.46 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.38 -11.96 70.64 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -104.24 131.76 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 144.96 25.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.93 89.07 4.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 108.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -96.04 69.17 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 174.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.585 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.7 t90 -34.57 145.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 108.023 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.01 -16.17 21.5 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.998 -8.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' SER . 9.3 mm -94.05 159.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 -170.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -101.09 125.07 47.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 108.318 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -111.0 162.15 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -129.12 103.3 6.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 62.18 22.38 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 90.87 40.69 5.51 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -149.65 121.06 4.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.405 0.709 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.14 54.19 3.63 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.46 -37.06 3.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 4' ' ' THR . 79.6 tt0 -70.03 165.22 22.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 2.6 p -130.8 150.81 51.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.2 p -116.02 43.61 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.43 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.71 -26.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.26 -33.45 15.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.379 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.53 19.14 3.18 Favored Glycine 0 C--N 1.293 -1.811 0 O-C-N 124.36 1.037 . . . . 0.0 110.931 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.431 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 98.7 m -133.92 156.08 48.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 0.743 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.424 ' N ' HG23 ' A' ' 9' ' ' THR . 87.7 m -129.26 140.7 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.47 -39.95 13.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -72.07 110.16 6.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.445 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.81 141.29 58.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.67 -14.98 60.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.03 142.6 33.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.85 143.68 28.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.74 90.0 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.541 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.56 68.54 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.054 174.121 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.58 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.3 t90 -34.5 145.04 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.58 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.06 -16.2 21.55 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.991 -8.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' SER . 4.3 mm -93.98 160.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 84.8 m -101.53 125.36 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 173.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -111.93 160.02 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -127.14 104.17 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 61.39 26.83 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 85.71 42.2 6.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 21.6 mt -149.94 120.15 3.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.31 3.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.85 -32.74 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 4' ' ' THR . 80.7 tt0 -73.65 165.28 25.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 0.805 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 21' ' ' ILE . 2.2 p -128.95 151.15 49.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 8' ' ' GLY . 8.9 p -122.37 42.65 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.435 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.83 -26.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -90.81 -33.93 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.34 24.2 2.47 Favored Glycine 0 C--N 1.294 -1.764 0 O-C-N 124.753 1.283 . . . . 0.0 110.978 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.2 m -137.43 152.04 49.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 0.765 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.6 m -127.32 141.73 51.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -89.62 -43.52 10.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.1 m -70.68 110.58 5.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.34 145.27 55.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.64 -15.19 63.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.84 131.05 50.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.56 144.04 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.79 88.95 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.362 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.44 69.85 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 174.025 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.598 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.5 t90 -34.82 145.69 0.18 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -174.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.03 -15.86 21.87 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.971 -8.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 4' ' ' THR . 32.3 mm -94.47 160.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.429 ' N ' HG21 ' A' ' 21' ' ' ILE . 87.2 m -100.73 127.46 47.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 173.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.79 158.89 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -124.27 104.9 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 62.02 23.72 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.03 42.18 5.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -147.85 121.68 4.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 53.74 3.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.4 -33.49 4.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.5 tt0 -71.48 165.22 24.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 0.815 . . . . 0.0 110.244 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.463 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 2.3 p -131.12 150.75 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 13.0 p -119.74 46.12 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.434 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -46.03 -24.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.63 -33.71 14.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.22 15.44 3.77 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 124.398 1.061 . . . . 0.0 111.021 177.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.438 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 32.4 m -128.64 152.2 48.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.9 m -125.87 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.238 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.66 -42.36 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -71.12 110.01 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.23 139.22 58.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.12 -14.62 57.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 2.0 m -103.22 134.67 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.7 143.06 27.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.83 89.18 4.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.5 t -97.01 70.52 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.595 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.3 t90 -34.64 145.7 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.595 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.0 -15.95 21.72 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -9.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CD1' HG21 ' A' ' 4' ' ' THR . 50.8 mm -94.79 158.31 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -170.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -101.87 129.71 48.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 165.71 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -132.28 99.26 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 67.19 25.83 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.8 40.09 7.3 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.1 mt -149.51 121.64 4.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.81 3.44 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.236 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.36 -35.64 3.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 78.4 tt0 -70.49 164.82 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 2.1 p -131.08 150.97 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 8' ' ' GLY . 14.6 p -116.93 47.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.439 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -91.75 -33.8 14.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.47 12.06 4.34 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.444 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 54.1 m -126.05 157.57 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.3 m -129.08 142.07 51.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -89.54 -39.42 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.6 m -75.29 109.84 9.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.32 142.65 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 -14.03 62.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.429 1.08 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.66 135.03 45.03 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.53 143.39 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -80.2 89.32 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.543 ' O ' ' C ' ' A' ' 19' ' ' TRP . 18.4 t -98.66 71.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 174.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.598 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.1 t90 -34.41 145.68 0.16 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -174.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.93 -16.65 20.82 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.082 -2.466 . . . . 0.0 110.996 -8.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.459 ' O ' ' O ' ' A' ' 18' ' ' SER . 3.2 mm -95.49 159.53 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -102.26 128.43 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -115.05 156.03 25.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.45 100.69 6.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 0.8 OUTLIER 69.69 26.67 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.99 37.62 12.55 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -145.57 122.38 6.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.572 0.807 . . . . 0.0 109.404 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.07 -3.49 61.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 4' ' ' THR . 29.1 tt0 -86.11 167.08 15.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 0.721 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 3.2 p -132.69 150.65 52.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.5 p -138.6 46.82 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.427 ' HA ' ' NE1' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -47.88 -27.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -90.34 -28.76 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.59 9.8 7.5 Favored Glycine 0 C--N 1.289 -2.046 0 O-C-N 124.722 1.264 . . . . 0.0 111.027 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 34.1 m -119.26 153.09 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 17' ' ' CYS . 34.8 m -125.22 127.62 47.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -88.73 25.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -139.32 109.81 6.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.78 139.66 57.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.246 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.07 -10.79 62.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.08 135.46 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.72 142.81 27.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -80.46 87.21 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.5 73.58 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 173.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.603 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 19.7 t90 -34.23 145.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 -174.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.603 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.96 -16.38 21.17 Favored 'Cis proline' 0 C--N 1.358 1.078 0 C-N-CA 121.097 -2.459 . . . . 0.0 111.007 -8.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 22' ' ' CYS . 3.5 mm -97.81 165.89 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -170.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 64.2 m -100.46 138.46 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 108.242 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.3 157.59 31.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.7 101.12 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 62.82 25.07 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.222 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 27' ' ' LEU . . . 89.4 44.81 4.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 23.5 mt -150.61 118.83 3.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.17 3.26 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.32 -39.97 3.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.54 165.55 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.902 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -130.2 150.33 51.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 20.1 p -111.98 45.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.453 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.79 -26.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.453 HD23 HG22 ' A' ' 6' ' ' THR . 2.5 mt -89.94 -34.37 16.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.88 8.68 4.58 Favored Glycine 0 C--N 1.285 -2.298 0 O-C-N 124.299 1.0 . . . . 0.0 111.047 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 16.9 m -126.16 163.22 23.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 110.444 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.44 144.19 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 108.239 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.89 -20.08 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 m -100.29 113.87 26.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.46 149.76 45.31 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.98 -16.54 56.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.48 134.39 43.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -89.48 147.16 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.08 91.19 5.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -98.98 68.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 174.246 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.626 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.6 t90 -34.78 145.33 0.19 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 108.082 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.05 -16.25 21.47 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.936 -2.527 . . . . 0.0 111.024 -8.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.902 HD13 HG22 ' A' ' 4' ' ' THR . 3.1 mm -93.65 160.96 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.248 -170.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 80.4 m -102.02 126.89 49.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 108.221 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -113.84 158.6 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -126.35 103.03 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 62.39 26.22 15.65 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.77 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 86.41 42.21 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -150.07 120.15 3.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.06 3.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.0 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.21 -37.02 3.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -69.88 169.0 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.863 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -131.75 150.8 52.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -115.66 42.06 2.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.516 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.55 -26.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.516 HD23 HG22 ' A' ' 6' ' ' THR . 1.9 mt -91.35 -34.2 14.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.3 18.14 2.57 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 177.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.442 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.1 m -135.57 160.56 38.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.9 m -121.17 157.99 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -102.53 -24.54 13.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -100.23 116.41 32.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.08 150.52 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.05 -16.52 55.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.9 130.89 45.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 145.28 25.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -76.65 90.19 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.92 67.75 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.616 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 9.7 t90 -34.6 145.03 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.616 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -74.97 -15.79 21.83 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.031 -8.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.863 HD13 HG22 ' A' ' 4' ' ' THR . 3.7 mm -93.81 161.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -170.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 21' ' ' ILE . 57.3 m -101.83 130.18 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.89 162.13 18.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.2 ttm180 -128.43 89.68 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 1.8 m-20 75.85 24.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.242 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.67 34.05 8.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -141.98 121.53 8.05 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.61 3.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.9 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.96 -41.65 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.83 167.72 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 1.032 HG22 HD13 ' A' ' 21' ' ' ILE . 3.3 p -133.24 151.07 51.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' THR . 25.4 p -113.76 45.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.48 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.1 -26.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.48 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -89.72 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.604 1.19 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.24 5.77 5.5 Favored Glycine 0 C--N 1.286 -2.242 0 O-C-N 124.312 1.007 . . . . 0.0 110.936 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 37.0 m -122.98 159.57 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 0.723 . . . . 0.0 110.442 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.3 m -122.44 147.3 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.271 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -90.64 -36.7 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 m -85.99 110.54 19.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.89 148.78 42.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.47 -16.78 59.16 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.17 138.71 33.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.67 143.01 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -80.26 86.79 5.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.606 1.191 . . . . 0.0 108.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.528 ' O ' ' C ' ' A' ' 19' ' ' TRP . 43.0 t -94.85 67.82 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.615 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.94 145.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.615 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.07 -15.48 22.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.979 -8.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.032 HD13 HG22 ' A' ' 4' ' ' THR . 30.2 mm -92.47 155.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.3 m -101.79 130.17 48.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 108.267 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -109.67 175.0 5.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 45.7 ttt180 -139.26 87.24 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 7.1 m120 77.26 24.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.76 35.4 7.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.0 mt -146.65 124.08 5.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.2 Cg_endo -75.02 54.42 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.16 -38.56 3.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 4' ' ' THR . 75.3 tt0 -69.73 165.55 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 1.006 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -129.14 151.17 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.466 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.9 p -118.53 43.94 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 108.361 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.52 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.36 -27.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.52 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -89.65 -33.03 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.81 21.0 3.02 Favored Glycine 0 C--N 1.298 -1.551 0 O-C-N 124.678 1.236 . . . . 0.0 110.932 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 23.7 m -135.65 160.46 38.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.8 m -132.07 142.05 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -89.59 -36.63 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -78.41 110.21 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -63.11 144.63 56.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.45 -14.18 64.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.44 132.48 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.81 145.58 25.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.46 90.06 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 108.301 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.4 70.84 2.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.932 174.192 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.659 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.67 146.17 0.16 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.14 . . . . 0.0 107.95 -174.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.659 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -75.0 -15.47 22.24 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.051 -8.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.006 HD13 HG22 ' A' ' 4' ' ' THR . 3.4 mm -96.89 163.81 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.456 ' N ' HG22 ' A' ' 21' ' ' ILE . 84.2 m -101.18 137.13 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.267 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.32 161.62 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.0 98.93 5.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.077 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.8 m120 69.09 23.07 6.62 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.63 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.26 41.15 5.9 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.5 mt -149.17 125.07 5.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.596 0.821 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 54.39 3.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.7 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.45 -41.45 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.96 164.03 24.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.627 HG22 HD13 ' A' ' 21' ' ' ILE . 2.5 p -126.14 151.64 47.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.9 p -114.58 42.98 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.469 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.0 -26.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 110.446 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.469 HD23 HG22 ' A' ' 6' ' ' THR . 2.3 mt -90.2 -35.98 15.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.65 18.81 2.38 Favored Glycine 0 C--N 1.294 -1.774 0 O-C-N 124.581 1.176 . . . . 0.0 111.024 176.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 36.3 m -134.85 159.32 41.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.4 m -120.18 157.04 29.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -104.81 -31.75 9.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -89.82 116.75 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -61.6 150.35 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.11 -13.99 60.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.61 145.47 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 144.71 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.32 90.02 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 2.3 p -97.33 68.51 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.4 t90 -34.69 145.25 0.19 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.534 1.146 . . . . 0.0 108.047 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.621 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -16.03 21.53 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.022 -8.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.627 HD13 HG22 ' A' ' 4' ' ' THR . 2.2 mm -93.78 160.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -170.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.5 m -101.69 123.64 46.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 174.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -112.84 160.37 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -128.18 103.67 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 61.38 27.56 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.676 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 85.6 42.04 7.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.424 1.078 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.0 mt -149.66 118.81 3.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 55.31 3.94 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.3 -40.31 3.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.06 163.87 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 1.033 HG22 HD13 ' A' ' 21' ' ' ILE . 4.7 p -125.93 152.47 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 11.8 p -116.75 43.13 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.494 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.64 -26.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.494 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -90.56 -34.72 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.39 21.05 2.56 Favored Glycine 0 C--N 1.295 -1.736 0 O-C-N 124.722 1.264 . . . . 0.0 111.039 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.433 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 67.7 m -134.22 157.21 46.85 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 0.745 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.2 m -124.58 144.08 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 108.326 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -89.59 -40.93 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 m -80.51 115.91 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.92 151.63 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.04 48.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -96.67 130.05 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.53 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.21 89.27 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 108.286 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.02 67.23 3.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.026 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.5 t90 -34.79 144.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 108.041 -174.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.98 -15.81 21.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.921 -8.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.033 HD13 HG22 ' A' ' 4' ' ' THR . 47.9 mm -92.66 159.7 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -170.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.4 m -101.66 128.61 47.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.315 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.4 159.35 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -126.9 98.86 5.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 m120 66.15 25.42 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.716 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 88.14 41.3 6.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 26' ' ' GLY . 22.6 mt -149.72 121.6 4.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 0.796 . . . . 0.0 109.265 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 54.42 3.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.6 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.11 -38.29 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.55 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.5 tt0 -69.68 165.41 21.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 1.063 HG22 HD13 ' A' ' 21' ' ' ILE . 1.8 p -129.76 151.49 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 p -119.61 44.31 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.452 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.05 -25.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.452 HD23 HG22 ' A' ' 6' ' ' THR . 2.5 mt -89.94 -34.45 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.66 15.49 3.25 Favored Glycine 0 C--N 1.29 -2.007 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.427 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 92.0 m -133.84 157.16 46.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 0.833 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -124.84 144.58 50.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 11.6 m-30 -89.49 -36.82 15.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -79.17 111.64 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -63.42 144.27 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.1 -15.75 61.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.074 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.42 133.12 47.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.6 146.04 24.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -79.35 91.27 5.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 108.329 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.533 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -98.7 69.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 174.152 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.652 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.6 t90 -35.1 146.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.652 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.01 -15.81 21.9 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.995 -8.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.063 HD13 HG22 ' A' ' 4' ' ' THR . 18.9 mm -94.97 161.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -170.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' N ' HG22 ' A' ' 21' ' ' ILE . 91.4 m -100.82 133.74 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 108.334 173.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.58 156.91 29.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -121.53 96.2 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 70.74 23.73 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.42 40.73 5.96 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 26' ' ' GLY . 17.9 mt -146.62 122.07 5.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.402 0.707 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.66 -40.01 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.78 167.97 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.911 HG22 HD13 ' A' ' 21' ' ' ILE . 2.0 p -132.93 151.01 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 9' ' ' THR . 21.6 p -114.35 47.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.477 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.97 -25.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.468 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.477 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -90.91 -34.12 15.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.44 5.31 5.56 Favored Glycine 0 C--N 1.29 -1.976 0 O-C-N 124.275 0.984 . . . . 0.0 111.03 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 63.0 m -120.99 158.73 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -116.18 159.89 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -105.14 -27.02 11.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.7 m -100.21 117.8 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -61.76 151.32 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -16.99 47.15 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 m -96.88 133.0 42.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.54 143.75 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -80.09 90.11 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.2 t -98.66 70.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.942 174.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.634 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.48 145.71 0.17 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -174.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.634 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.9 -16.21 21.24 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.997 -8.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.911 HD13 HG22 ' A' ' 4' ' ' THR . 3.1 mm -95.08 158.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.32 129.43 48.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 108.31 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -113.08 163.89 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.52 HH11 HG13 ' A' ' 29' ' ' VAL . 1.9 ttm105 -129.17 95.13 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 72.76 24.7 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 87.89 36.02 8.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.2 mt -145.69 124.36 6.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.794 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.3 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.41 -41.17 2.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.432 1.082 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 166.29 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.944 HG22 HD13 ' A' ' 21' ' ' ILE . 19.4 p -125.28 170.99 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -140.61 43.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.535 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.51 -28.65 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.535 HD23 HG22 ' A' ' 6' ' ' THR . 1.7 mt -89.78 -28.31 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 117.78 20.53 4.54 Favored Glycine 0 C--N 1.288 -2.111 0 O-C-N 124.731 1.269 . . . . 0.0 111.024 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 61.4 m -130.07 157.86 41.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.2 m -126.94 146.54 50.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.53 -39.99 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m -82.7 110.68 17.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.0 153.37 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.63 -16.79 48.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.403 1.064 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.28 134.22 41.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.55 144.44 26.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.45 90.35 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 108.223 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 70.1 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 173.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.626 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 15.4 t90 -34.52 145.24 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.0 -16.69 20.91 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -8.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.944 HD13 HG22 ' A' ' 4' ' ' THR . 19.1 mm -94.45 163.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -170.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.459 ' N ' HG22 ' A' ' 21' ' ' ILE . 90.3 m -100.7 144.57 29.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 173.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 1.8 mptp? -129.73 153.73 47.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 13.0 ttt85 -116.38 101.28 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 24' ' ' ARG . 2.9 m-80 63.34 24.24 14.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.556 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 91.16 44.12 4.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.3 mt -149.66 120.62 4.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.0 Cg_endo -75.08 53.86 3.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 55.7 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.14 -41.26 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.554 1.159 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -69.84 163.8 25.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.7 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -130.11 150.73 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 8' ' ' GLY . 17.2 p -115.04 46.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.502 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.4 -25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.502 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -92.58 -31.86 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.25 4.39 6.48 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.385 1.053 . . . . 0.0 110.997 177.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.435 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 26.1 m -119.12 152.14 37.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 m -110.01 147.24 33.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -103.63 20.37 18.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.1 m -147.56 111.06 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.7 149.9 33.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.49 -15.5 61.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.7 m -102.03 151.73 21.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.06 143.71 32.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.44 86.48 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.537 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.7 t -95.2 68.03 3.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.616 1.197 . . . . 0.0 109.984 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.612 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.0 t90 -34.48 145.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 -174.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -15.7 21.89 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.956 -8.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.7 HD13 HG22 ' A' ' 4' ' ' THR . 19.7 mm -93.4 156.57 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -170.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.49 132.57 47.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -110.08 173.18 6.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 59.9 ttt-85 -134.77 80.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 2.0 m120 80.66 21.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 96.35 35.28 5.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.3 mt -147.63 123.35 5.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.1 Cg_endo -75.05 55.03 3.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.6 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.17 -36.03 3.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.0 tt0 -70.21 165.52 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.565 HG22 HD13 ' A' ' 21' ' ' ILE . 3.3 p -128.6 152.18 48.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.0 p -123.73 43.04 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.368 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.499 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.12 -26.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.465 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.499 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -90.31 -33.36 16.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.75 23.87 2.69 Favored Glycine 0 C--N 1.293 -1.846 0 O-C-N 124.66 1.225 . . . . 0.0 110.995 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.43 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 34.6 m -136.39 153.03 51.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 0.746 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 95.1 m -128.79 141.42 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.192 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -89.53 -42.94 11.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -70.25 110.38 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.6 144.74 56.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.11 -13.31 67.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.16 131.08 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.52 143.82 26.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.5 89.31 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 108.37 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 69.59 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 174.217 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.8 t90 -34.89 145.82 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.026 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.64 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.0 Cg_endo -75.03 -15.6 22.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.975 -8.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.565 HD13 HG22 ' A' ' 4' ' ' THR . 2.6 mm -94.68 160.65 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -170.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.413 ' N ' HG22 ' A' ' 21' ' ' ILE . 84.8 m -100.75 130.48 46.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 108.255 173.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.46 160.89 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -126.06 97.5 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.236 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m120 70.51 21.86 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.56 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.8 40.89 5.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.0 mt -148.19 124.93 5.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 29' ' ' VAL . 10.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.223 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 20.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.1 -43.02 1.9 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.71 165.14 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.829 HG22 HD13 ' A' ' 21' ' ' ILE . 3.1 p -125.51 151.55 46.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.0 p -114.13 43.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.351 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.478 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.53 -26.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.478 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -90.18 -32.71 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.42 15.89 3.59 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 177.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 17.2 m -130.71 162.73 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.461 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.63 141.73 51.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 108.228 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.46 -19.81 24.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -100.22 115.25 29.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.28 151.34 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.34 -13.27 55.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 111.043 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.35 142.42 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.53 90.32 4.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.525 ' CB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -96.72 70.85 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.036 173.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.671 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.8 t90 -36.25 146.8 0.2 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 107.991 -174.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.671 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.03 -15.28 22.52 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.979 -9.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.829 HD13 HG22 ' A' ' 4' ' ' THR . 10.9 mm -92.0 155.6 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -170.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.9 m -92.86 142.96 26.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.256 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' CG ' ' CB ' ' A' ' 18' ' ' SER . 6.0 mmmm -121.35 169.3 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.9 ttt180 -134.59 76.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 2.9 m120 80.78 21.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.73 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 97.78 35.74 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 26' ' ' GLY . 22.5 mt -150.2 124.57 4.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.421 ' N ' ' HE2' ' A' ' 23' ' ' LYS . 18.3 Cg_endo -75.09 54.62 3.74 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.9 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.16 -39.16 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.413 1.07 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.76 165.07 22.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.961 HG22 HD13 ' A' ' 21' ' ' ILE . 4.7 p -131.28 150.86 51.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 9' ' ' THR . 18.1 p -117.36 47.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.349 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.33 -25.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.515 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -92.91 -29.59 15.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.55 4.02 8.34 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.696 1.248 . . . . 0.0 110.959 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 93.1 m -117.73 156.81 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.2 m -122.26 148.8 44.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -93.33 -37.75 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.3 m -84.73 110.62 18.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -62.47 147.97 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.75 -17.16 59.18 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.38 138.44 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.65 142.63 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.41 89.36 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.264 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.4 t -98.05 70.57 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 173.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.616 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.8 t90 -34.69 145.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.616 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.05 -16.74 20.92 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.029 -8.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.961 HD13 HG22 ' A' ' 4' ' ' THR . 50.0 mm -93.51 157.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -170.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.83 125.25 48.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.78 162.32 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.44 105.85 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 62.74 24.63 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.06 37.46 8.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -146.15 121.93 5.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 54.59 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.99 -35.04 3.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.545 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.3 tt0 -72.42 165.15 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.803 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -131.68 150.46 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 15.9 p -119.87 49.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.487 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -91.61 -32.84 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.75 10.33 5.91 Favored Glycine 0 C--N 1.29 -2.028 0 O-C-N 124.302 1.001 . . . . 0.0 110.927 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.441 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 1.9 m -122.89 143.39 49.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 110.34 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.1 m -115.87 139.73 49.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.344 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.545 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 13.4 m-30 -89.55 -30.61 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -82.74 110.14 17.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -66.09 139.55 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.84 -11.34 60.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.566 1.166 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.57 137.05 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.5 144.05 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -80.12 86.74 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 19' ' ' TRP . 42.1 t -95.14 68.71 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 174.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.614 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 17.3 t90 -34.83 145.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.019 -174.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.06 -15.59 22.25 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.974 -8.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.803 HD13 HG22 ' A' ' 4' ' ' THR . 4.8 mm -93.38 155.97 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -170.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -101.66 129.58 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 108.329 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 172.93 6.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -138.83 92.35 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m120 73.67 22.85 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.644 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.83 37.13 6.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.9 mt -148.3 124.53 5.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.41 0.712 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.73 -32.78 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' THR . 81.1 tt0 -71.93 165.35 24.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.989 HG22 HD13 ' A' ' 21' ' ' ILE . 1.9 p -129.77 151.09 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.2 p -119.96 44.59 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.488 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.91 -25.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.488 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -91.57 -33.56 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.91 19.2 3.37 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.301 1.0 . . . . 0.0 111.0 177.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.433 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 89.9 m -131.64 154.86 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 0.717 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -129.53 140.95 51.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.49 -42.38 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -71.49 110.45 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -62.98 147.46 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.38 -11.96 70.64 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -104.24 131.76 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 144.96 25.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.93 89.07 4.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 108.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -96.04 69.17 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 174.23 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.62 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.7 t90 -34.57 145.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 108.023 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.62 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.01 -16.17 21.5 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.998 -8.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.989 HD13 HG22 ' A' ' 4' ' ' THR . 9.3 mm -94.05 159.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 -170.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -101.09 125.07 47.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 108.318 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -111.0 162.15 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -129.12 103.3 6.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 62.18 22.38 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.777 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.87 40.69 5.51 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -149.65 121.06 4.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.405 0.709 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.14 54.19 3.63 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.6 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.46 -37.06 3.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 4' ' ' THR . 79.6 tt0 -70.03 165.22 22.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.926 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -130.8 150.81 51.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.2 p -116.02 43.61 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.71 -26.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -91.26 -33.45 15.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.379 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.53 19.14 3.18 Favored Glycine 0 C--N 1.293 -1.811 0 O-C-N 124.36 1.037 . . . . 0.0 110.931 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.431 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 98.7 m -133.92 156.08 48.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 0.743 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.7 m -129.26 140.7 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.327 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.47 -39.95 13.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -72.07 110.16 6.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.445 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.81 141.29 58.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.67 -14.98 60.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.03 142.6 33.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.85 143.68 28.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.74 90.0 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.541 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.56 68.54 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.054 174.121 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.617 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.3 t90 -34.5 145.04 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.617 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.06 -16.2 21.55 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.991 -8.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.926 HD13 HG22 ' A' ' 4' ' ' THR . 4.3 mm -93.98 160.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 84.8 m -101.53 125.36 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 173.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -111.93 160.02 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -127.14 104.17 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 61.39 26.83 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.689 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 85.71 42.2 6.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.6 mt -149.94 120.15 3.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.31 3.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.7 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.85 -32.74 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 4' ' ' THR . 80.7 tt0 -73.65 165.28 25.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 0.805 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.924 HG22 HD13 ' A' ' 21' ' ' ILE . 2.2 p -128.95 151.15 49.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 8' ' ' GLY . 8.9 p -122.37 42.65 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.51 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.83 -26.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -90.81 -33.93 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.34 24.2 2.47 Favored Glycine 0 C--N 1.294 -1.764 0 O-C-N 124.753 1.283 . . . . 0.0 110.978 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.2 m -137.43 152.04 49.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 0.765 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.6 m -127.32 141.73 51.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -89.62 -43.52 10.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.1 m -70.68 110.58 5.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.34 145.27 55.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.64 -15.19 63.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.84 131.05 50.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.56 144.04 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.79 88.95 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.362 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.44 69.85 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 174.025 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.637 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.5 t90 -34.82 145.69 0.18 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -174.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.637 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.03 -15.86 21.87 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.971 -8.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.924 HD13 HG22 ' A' ' 4' ' ' THR . 32.3 mm -94.47 160.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 21' ' ' ILE . 87.2 m -100.73 127.46 47.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 173.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.79 158.89 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -124.27 104.9 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 62.02 23.72 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.03 42.18 5.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 26' ' ' GLY . 16.8 mt -147.85 121.68 4.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 53.74 3.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.4 -33.49 4.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.5 tt0 -71.48 165.22 24.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 0.815 . . . . 0.0 110.244 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.989 HG22 HD13 ' A' ' 21' ' ' ILE . 2.3 p -131.12 150.75 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 13.0 p -119.74 46.12 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.03 -24.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -92.63 -33.71 14.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.22 15.44 3.77 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 124.398 1.061 . . . . 0.0 111.021 177.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.439 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 32.4 m -128.64 152.2 48.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.9 m -125.87 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.238 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.66 -42.36 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -71.12 110.01 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.23 139.22 58.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.12 -14.62 57.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 2.0 m -103.22 134.67 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.7 143.06 27.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.83 89.18 4.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.5 t -97.01 70.52 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.631 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.3 t90 -34.64 145.7 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.631 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.0 -15.95 21.72 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -9.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.989 HD13 HG22 ' A' ' 4' ' ' THR . 50.8 mm -94.79 158.31 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -170.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -101.87 129.71 48.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 165.71 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -132.28 99.26 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 67.19 25.83 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.641 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 86.8 40.09 7.3 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.1 mt -149.51 121.64 4.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.81 3.44 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.236 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.36 -35.64 3.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 78.4 tt0 -70.49 164.82 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.916 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -131.08 150.97 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 8' ' ' GLY . 14.6 p -116.93 47.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.503 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.503 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -91.75 -33.8 14.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.47 12.06 4.34 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 54.1 m -126.05 157.57 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.3 m -129.08 142.07 51.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -89.54 -39.42 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.6 m -75.29 109.84 9.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.32 142.65 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 -14.03 62.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.429 1.08 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.66 135.03 45.03 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.53 143.39 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -80.2 89.32 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.543 ' O ' ' C ' ' A' ' 19' ' ' TRP . 18.4 t -98.66 71.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 174.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.636 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.1 t90 -34.41 145.68 0.16 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -174.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.636 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.93 -16.65 20.82 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.082 -2.466 . . . . 0.0 110.996 -8.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.916 HD13 HG22 ' A' ' 4' ' ' THR . 3.2 mm -95.49 159.53 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -102.26 128.43 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -115.05 156.03 25.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.45 100.69 6.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.69 26.67 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.99 37.62 12.55 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -145.57 122.38 6.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.572 0.807 . . . . 0.0 109.404 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.07 -3.49 61.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 4' ' ' THR . 29.1 tt0 -86.11 167.08 15.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 0.721 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.519 HG22 HD13 ' A' ' 21' ' ' ILE . 3.2 p -132.69 150.65 52.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.5 p -138.6 46.82 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.88 -27.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.491 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -90.34 -28.76 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.59 9.8 7.5 Favored Glycine 0 C--N 1.289 -2.046 0 O-C-N 124.722 1.264 . . . . 0.0 111.027 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 34.1 m -119.26 153.09 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.8 m -125.22 127.62 47.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -88.73 25.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -139.32 109.81 6.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.78 139.66 57.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.246 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.07 -10.79 62.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.08 135.46 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.72 142.81 27.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -80.46 87.21 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.5 73.58 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 173.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 19.7 t90 -34.23 145.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 -174.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.657 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.96 -16.38 21.17 Favored 'Cis proline' 0 C--N 1.358 1.078 0 C-N-CA 121.097 -2.459 . . . . 0.0 111.007 -8.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.519 HD13 HG22 ' A' ' 4' ' ' THR . 3.5 mm -97.81 165.89 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -170.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.49 ' N ' HG22 ' A' ' 21' ' ' ILE . 64.2 m -100.46 138.46 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 108.242 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.3 157.59 31.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.7 101.12 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 62.82 25.07 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.222 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.772 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.4 44.81 4.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 26' ' ' GLY . 23.5 mt -150.61 118.83 3.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.17 3.26 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.32 -39.97 3.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.54 165.55 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.902 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -130.2 150.33 51.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 20.1 p -111.98 45.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.453 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.79 -26.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.453 HD23 HG22 ' A' ' 6' ' ' THR . 2.5 mt -89.94 -34.37 16.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.88 8.68 4.58 Favored Glycine 0 C--N 1.285 -2.298 0 O-C-N 124.299 1.0 . . . . 0.0 111.047 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 16.9 m -126.16 163.22 23.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 110.444 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.44 144.19 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 108.239 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.89 -20.08 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 m -100.29 113.87 26.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.46 149.76 45.31 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.98 -16.54 56.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.48 134.39 43.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -89.48 147.16 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.08 91.19 5.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -98.98 68.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 174.246 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.626 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.6 t90 -34.78 145.33 0.19 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 108.082 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.05 -16.25 21.47 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.936 -2.527 . . . . 0.0 111.024 -8.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.902 HD13 HG22 ' A' ' 4' ' ' THR . 3.1 mm -93.65 160.96 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.248 -170.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 80.4 m -102.02 126.89 49.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 108.221 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -113.84 158.6 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -126.35 103.03 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 62.39 26.22 15.65 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.77 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 86.41 42.21 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -150.07 120.15 3.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.06 3.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.0 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.21 -37.02 3.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -69.88 169.0 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.863 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -131.75 150.8 52.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -115.66 42.06 2.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.516 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.55 -26.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.516 HD23 HG22 ' A' ' 6' ' ' THR . 1.9 mt -91.35 -34.2 14.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.3 18.14 2.57 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 177.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.442 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.1 m -135.57 160.56 38.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.9 m -121.17 157.99 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -102.53 -24.54 13.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -100.23 116.41 32.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.08 150.52 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.05 -16.52 55.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.9 130.89 45.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 145.28 25.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -76.65 90.19 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.92 67.75 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.616 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 9.7 t90 -34.6 145.03 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -74.97 -15.79 21.83 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.031 -8.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.863 HD13 HG22 ' A' ' 4' ' ' THR . 3.7 mm -93.81 161.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -170.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 21' ' ' ILE . 57.3 m -101.83 130.18 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.89 162.13 18.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.2 ttm180 -128.43 89.68 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 1.8 m-20 75.85 24.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.242 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.67 34.05 8.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -141.98 121.53 8.05 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.61 3.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.9 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.96 -41.65 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.83 167.72 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.032 HG22 HD13 ' A' ' 21' ' ' ILE . 3.3 p -133.24 151.07 51.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' THR . 25.4 p -113.76 45.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.48 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.1 -26.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.48 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -89.72 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.604 1.19 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.24 5.77 5.5 Favored Glycine 0 C--N 1.286 -2.242 0 O-C-N 124.312 1.007 . . . . 0.0 110.936 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 37.0 m -122.98 159.57 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 0.723 . . . . 0.0 110.442 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.3 m -122.44 147.3 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.271 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -90.64 -36.7 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 m -85.99 110.54 19.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.89 148.78 42.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.47 -16.78 59.16 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.17 138.71 33.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.67 143.01 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -80.26 86.79 5.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.606 1.191 . . . . 0.0 108.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.528 ' O ' ' C ' ' A' ' 19' ' ' TRP . 43.0 t -94.85 67.82 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.615 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.94 145.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.615 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.07 -15.48 22.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.979 -8.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.032 HD13 HG22 ' A' ' 4' ' ' THR . 30.2 mm -92.47 155.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.3 m -101.79 130.17 48.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 108.267 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -109.67 175.0 5.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 45.7 ttt180 -139.26 87.24 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 7.1 m120 77.26 24.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.76 35.4 7.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.0 mt -146.65 124.08 5.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.2 Cg_endo -75.02 54.42 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.16 -38.56 3.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 4' ' ' THR . 75.3 tt0 -69.73 165.55 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.006 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -129.14 151.17 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.466 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.9 p -118.53 43.94 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 108.361 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.52 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.36 -27.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.52 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -89.65 -33.03 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.81 21.0 3.02 Favored Glycine 0 C--N 1.298 -1.551 0 O-C-N 124.678 1.236 . . . . 0.0 110.932 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 23.7 m -135.65 160.46 38.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.8 m -132.07 142.05 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -89.59 -36.63 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -78.41 110.21 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -63.11 144.63 56.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.45 -14.18 64.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.44 132.48 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.81 145.58 25.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.46 90.06 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 108.301 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.4 70.84 2.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.932 174.192 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.659 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.67 146.17 0.16 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.14 . . . . 0.0 107.95 -174.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.659 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -75.0 -15.47 22.24 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.051 -8.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.006 HD13 HG22 ' A' ' 4' ' ' THR . 3.4 mm -96.89 163.81 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.456 ' N ' HG22 ' A' ' 21' ' ' ILE . 84.2 m -101.18 137.13 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.267 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.32 161.62 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.0 98.93 5.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.077 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.8 m120 69.09 23.07 6.62 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.63 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.26 41.15 5.9 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.5 mt -149.17 125.07 5.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.596 0.821 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 54.39 3.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.7 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.45 -41.45 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.96 164.03 24.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.627 HG22 HD13 ' A' ' 21' ' ' ILE . 2.5 p -126.14 151.64 47.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.9 p -114.58 42.98 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.469 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.0 -26.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 110.446 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.469 HD23 HG22 ' A' ' 6' ' ' THR . 2.3 mt -90.2 -35.98 15.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.65 18.81 2.38 Favored Glycine 0 C--N 1.294 -1.774 0 O-C-N 124.581 1.176 . . . . 0.0 111.024 176.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 36.3 m -134.85 159.32 41.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.4 m -120.18 157.04 29.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -104.81 -31.75 9.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -89.82 116.75 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -61.6 150.35 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.11 -13.99 60.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.61 145.47 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 144.71 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.32 90.02 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 2.3 p -97.33 68.51 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.4 t90 -34.69 145.25 0.19 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.534 1.146 . . . . 0.0 108.047 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.621 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -16.03 21.53 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.022 -8.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.627 HD13 HG22 ' A' ' 4' ' ' THR . 2.2 mm -93.78 160.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -170.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.5 m -101.69 123.64 46.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 174.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -112.84 160.37 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -128.18 103.67 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 61.38 27.56 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.676 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 85.6 42.04 7.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.424 1.078 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.0 mt -149.66 118.81 3.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 55.31 3.94 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.3 -40.31 3.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.06 163.87 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.033 HG22 HD13 ' A' ' 21' ' ' ILE . 4.7 p -125.93 152.47 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 11.8 p -116.75 43.13 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.494 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.64 -26.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.494 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -90.56 -34.72 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.39 21.05 2.56 Favored Glycine 0 C--N 1.295 -1.736 0 O-C-N 124.722 1.264 . . . . 0.0 111.039 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.433 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 67.7 m -134.22 157.21 46.85 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 0.745 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.2 m -124.58 144.08 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 108.326 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -89.59 -40.93 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 m -80.51 115.91 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.92 151.63 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.04 48.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -96.67 130.05 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.53 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.21 89.27 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 108.286 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.02 67.23 3.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.026 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.5 t90 -34.79 144.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 108.041 -174.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.98 -15.81 21.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.921 -8.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.033 HD13 HG22 ' A' ' 4' ' ' THR . 47.9 mm -92.66 159.7 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -170.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.4 m -101.66 128.61 47.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.315 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.4 159.35 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -126.9 98.86 5.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 m120 66.15 25.42 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.716 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 88.14 41.3 6.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 26' ' ' GLY . 22.6 mt -149.72 121.6 4.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 0.796 . . . . 0.0 109.265 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 54.42 3.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.6 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.11 -38.29 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.55 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.5 tt0 -69.68 165.41 21.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.063 HG22 HD13 ' A' ' 21' ' ' ILE . 1.8 p -129.76 151.49 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 p -119.61 44.31 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.452 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.05 -25.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.452 HD23 HG22 ' A' ' 6' ' ' THR . 2.5 mt -89.94 -34.45 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.66 15.49 3.25 Favored Glycine 0 C--N 1.29 -2.007 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.427 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 92.0 m -133.84 157.16 46.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 0.833 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -124.84 144.58 50.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 11.6 m-30 -89.49 -36.82 15.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -79.17 111.64 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -63.42 144.27 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.1 -15.75 61.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.074 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.42 133.12 47.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.6 146.04 24.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -79.35 91.27 5.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 108.329 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.533 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -98.7 69.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 174.152 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.652 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.6 t90 -35.1 146.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.652 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.01 -15.81 21.9 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.995 -8.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.063 HD13 HG22 ' A' ' 4' ' ' THR . 18.9 mm -94.97 161.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -170.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' N ' HG22 ' A' ' 21' ' ' ILE . 91.4 m -100.82 133.74 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 108.334 173.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.58 156.91 29.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -121.53 96.2 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 70.74 23.73 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.42 40.73 5.96 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 26' ' ' GLY . 17.9 mt -146.62 122.07 5.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.402 0.707 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.66 -40.01 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.78 167.97 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.911 HG22 HD13 ' A' ' 21' ' ' ILE . 2.0 p -132.93 151.01 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 9' ' ' THR . 21.6 p -114.35 47.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.477 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.97 -25.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.468 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -90.91 -34.12 15.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.44 5.31 5.56 Favored Glycine 0 C--N 1.29 -1.976 0 O-C-N 124.275 0.984 . . . . 0.0 111.03 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 63.0 m -120.99 158.73 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -116.18 159.89 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -105.14 -27.02 11.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.7 m -100.21 117.8 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -61.76 151.32 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -16.99 47.15 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 m -96.88 133.0 42.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.54 143.75 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -80.09 90.11 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.2 t -98.66 70.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.942 174.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.634 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.48 145.71 0.17 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -174.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.634 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.9 -16.21 21.24 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.997 -8.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.911 HD13 HG22 ' A' ' 4' ' ' THR . 3.1 mm -95.08 158.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.32 129.43 48.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 108.31 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -113.08 163.89 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.52 HH11 HG13 ' A' ' 29' ' ' VAL . 1.9 ttm105 -129.17 95.13 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 72.76 24.7 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 87.89 36.02 8.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.2 mt -145.69 124.36 6.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.794 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.3 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.41 -41.17 2.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.432 1.082 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 166.29 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.944 HG22 HD13 ' A' ' 21' ' ' ILE . 19.4 p -125.28 170.99 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -140.61 43.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.535 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.51 -28.65 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.535 HD23 HG22 ' A' ' 6' ' ' THR . 1.7 mt -89.78 -28.31 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 117.78 20.53 4.54 Favored Glycine 0 C--N 1.288 -2.111 0 O-C-N 124.731 1.269 . . . . 0.0 111.024 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 61.4 m -130.07 157.86 41.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.2 m -126.94 146.54 50.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.53 -39.99 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m -82.7 110.68 17.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.0 153.37 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.63 -16.79 48.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.403 1.064 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.28 134.22 41.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.55 144.44 26.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.45 90.35 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 108.223 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 70.1 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 173.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.626 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 15.4 t90 -34.52 145.24 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.0 -16.69 20.91 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -8.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.944 HD13 HG22 ' A' ' 4' ' ' THR . 19.1 mm -94.45 163.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -170.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.459 ' N ' HG22 ' A' ' 21' ' ' ILE . 90.3 m -100.7 144.57 29.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 173.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 1.8 mptp? -129.73 153.73 47.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 13.0 ttt85 -116.38 101.28 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 24' ' ' ARG . 2.9 m-80 63.34 24.24 14.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.556 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 91.16 44.12 4.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.3 mt -149.66 120.62 4.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.0 Cg_endo -75.08 53.86 3.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 55.7 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.14 -41.26 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.554 1.159 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -69.84 163.8 25.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.7 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -130.11 150.73 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 8' ' ' GLY . 17.2 p -115.04 46.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.502 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.4 -25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.502 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -92.58 -31.86 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.25 4.39 6.48 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.385 1.053 . . . . 0.0 110.997 177.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.435 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 26.1 m -119.12 152.14 37.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 m -110.01 147.24 33.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -103.63 20.37 18.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.1 m -147.56 111.06 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.7 149.9 33.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.49 -15.5 61.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.7 m -102.03 151.73 21.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.06 143.71 32.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.44 86.48 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.537 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.7 t -95.2 68.03 3.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.616 1.197 . . . . 0.0 109.984 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.612 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.0 t90 -34.48 145.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 -174.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -15.7 21.89 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.956 -8.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.7 HD13 HG22 ' A' ' 4' ' ' THR . 19.7 mm -93.4 156.57 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -170.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.49 132.57 47.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -110.08 173.18 6.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 59.9 ttt-85 -134.77 80.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 2.0 m120 80.66 21.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 96.35 35.28 5.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.3 mt -147.63 123.35 5.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.1 Cg_endo -75.05 55.03 3.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.6 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.17 -36.03 3.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.0 tt0 -70.21 165.52 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.565 HG22 HD13 ' A' ' 21' ' ' ILE . 3.3 p -128.6 152.18 48.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.0 p -123.73 43.04 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.368 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.499 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.12 -26.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.465 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.499 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -90.31 -33.36 16.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.75 23.87 2.69 Favored Glycine 0 C--N 1.293 -1.846 0 O-C-N 124.66 1.225 . . . . 0.0 110.995 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.43 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 34.6 m -136.39 153.03 51.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 0.746 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 95.1 m -128.79 141.42 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.192 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -89.53 -42.94 11.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -70.25 110.38 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.6 144.74 56.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.11 -13.31 67.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.16 131.08 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.52 143.82 26.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.5 89.31 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 108.37 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 69.59 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 174.217 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.8 t90 -34.89 145.82 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.026 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.64 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.0 Cg_endo -75.03 -15.6 22.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.975 -8.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.565 HD13 HG22 ' A' ' 4' ' ' THR . 2.6 mm -94.68 160.65 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -170.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.413 ' N ' HG22 ' A' ' 21' ' ' ILE . 84.8 m -100.75 130.48 46.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 108.255 173.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.46 160.89 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -126.06 97.5 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.236 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m120 70.51 21.86 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.56 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.8 40.89 5.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.0 mt -148.19 124.93 5.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 29' ' ' VAL . 10.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.223 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 20.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.1 -43.02 1.9 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.71 165.14 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.829 HG22 HD13 ' A' ' 21' ' ' ILE . 3.1 p -125.51 151.55 46.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.0 p -114.13 43.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.351 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.478 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.53 -26.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.478 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -90.18 -32.71 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.42 15.89 3.59 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 177.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 17.2 m -130.71 162.73 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.461 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.63 141.73 51.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 108.228 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.46 -19.81 24.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -100.22 115.25 29.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.28 151.34 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.34 -13.27 55.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 111.043 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.35 142.42 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.53 90.32 4.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.525 ' CB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -96.72 70.85 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.036 173.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.671 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.8 t90 -36.25 146.8 0.2 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 107.991 -174.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.671 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.03 -15.28 22.52 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.979 -9.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.829 HD13 HG22 ' A' ' 4' ' ' THR . 10.9 mm -92.0 155.6 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -170.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.9 m -92.86 142.96 26.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.256 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' CG ' ' CB ' ' A' ' 18' ' ' SER . 6.0 mmmm -121.35 169.3 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.9 ttt180 -134.59 76.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 2.9 m120 80.78 21.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.73 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 97.78 35.74 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 26' ' ' GLY . 22.5 mt -150.2 124.57 4.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.421 ' N ' ' HE2' ' A' ' 23' ' ' LYS . 18.3 Cg_endo -75.09 54.62 3.74 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.9 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.16 -39.16 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.413 1.07 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.76 165.07 22.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.961 HG22 HD13 ' A' ' 21' ' ' ILE . 4.7 p -131.28 150.86 51.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 9' ' ' THR . 18.1 p -117.36 47.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.349 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.33 -25.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.515 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -92.91 -29.59 15.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.55 4.02 8.34 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.696 1.248 . . . . 0.0 110.959 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 93.1 m -117.73 156.81 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.2 m -122.26 148.8 44.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -93.33 -37.75 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.3 m -84.73 110.62 18.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -62.47 147.97 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.75 -17.16 59.18 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.38 138.44 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.65 142.63 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.41 89.36 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.264 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.4 t -98.05 70.57 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 173.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.616 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.8 t90 -34.69 145.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.05 -16.74 20.92 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.029 -8.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.961 HD13 HG22 ' A' ' 4' ' ' THR . 50.0 mm -93.51 157.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -170.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.83 125.25 48.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.78 162.32 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.44 105.85 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 62.74 24.63 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.06 37.46 8.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -146.15 121.93 5.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 54.59 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.99 -35.04 3.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.545 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.3 tt0 -72.42 165.15 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.803 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -131.68 150.46 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 15.9 p -119.87 49.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.487 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -91.61 -32.84 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.75 10.33 5.91 Favored Glycine 0 C--N 1.29 -2.028 0 O-C-N 124.302 1.001 . . . . 0.0 110.927 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.441 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 1.9 m -122.89 143.39 49.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 110.34 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.1 m -115.87 139.73 49.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.344 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.545 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 13.4 m-30 -89.55 -30.61 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -82.74 110.14 17.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -66.09 139.55 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.84 -11.34 60.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.566 1.166 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.57 137.05 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.5 144.05 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -80.12 86.74 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 19' ' ' TRP . 42.1 t -95.14 68.71 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 174.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.614 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 17.3 t90 -34.83 145.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.019 -174.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.06 -15.59 22.25 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.974 -8.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.803 HD13 HG22 ' A' ' 4' ' ' THR . 4.8 mm -93.38 155.97 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -170.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -101.66 129.58 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 108.329 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 172.93 6.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -138.83 92.35 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m120 73.67 22.85 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.644 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.83 37.13 6.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.9 mt -148.3 124.53 5.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.41 0.712 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.73 -32.78 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' THR . 81.1 tt0 -71.93 165.35 24.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.989 HG22 HD13 ' A' ' 21' ' ' ILE . 1.9 p -129.77 151.09 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.2 p -119.96 44.59 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.488 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.91 -25.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.488 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -91.57 -33.56 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.91 19.2 3.37 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.301 1.0 . . . . 0.0 111.0 177.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.433 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 89.9 m -131.64 154.86 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 0.717 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -129.53 140.95 51.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.49 -42.38 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -71.49 110.45 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -62.98 147.46 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.38 -11.96 70.64 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -104.24 131.76 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 144.96 25.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.93 89.07 4.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 108.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -96.04 69.17 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 174.23 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.62 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.7 t90 -34.57 145.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 108.023 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.62 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.01 -16.17 21.5 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.998 -8.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.989 HD13 HG22 ' A' ' 4' ' ' THR . 9.3 mm -94.05 159.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 -170.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -101.09 125.07 47.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 108.318 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -111.0 162.15 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -129.12 103.3 6.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 62.18 22.38 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.777 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.87 40.69 5.51 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -149.65 121.06 4.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.405 0.709 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.14 54.19 3.63 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.6 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.46 -37.06 3.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 4' ' ' THR . 79.6 tt0 -70.03 165.22 22.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.926 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -130.8 150.81 51.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.2 p -116.02 43.61 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.71 -26.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -91.26 -33.45 15.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.379 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.53 19.14 3.18 Favored Glycine 0 C--N 1.293 -1.811 0 O-C-N 124.36 1.037 . . . . 0.0 110.931 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.431 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 98.7 m -133.92 156.08 48.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 0.743 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.7 m -129.26 140.7 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.327 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.47 -39.95 13.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -72.07 110.16 6.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.445 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.81 141.29 58.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.67 -14.98 60.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.03 142.6 33.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.85 143.68 28.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.74 90.0 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.541 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.56 68.54 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.054 174.121 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.617 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.3 t90 -34.5 145.04 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.617 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.06 -16.2 21.55 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.991 -8.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.926 HD13 HG22 ' A' ' 4' ' ' THR . 4.3 mm -93.98 160.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 84.8 m -101.53 125.36 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 173.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -111.93 160.02 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -127.14 104.17 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 61.39 26.83 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.689 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 85.71 42.2 6.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.6 mt -149.94 120.15 3.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.31 3.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.7 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.85 -32.74 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 4' ' ' THR . 80.7 tt0 -73.65 165.28 25.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 0.805 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.924 HG22 HD13 ' A' ' 21' ' ' ILE . 2.2 p -128.95 151.15 49.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 8' ' ' GLY . 8.9 p -122.37 42.65 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.51 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.83 -26.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -90.81 -33.93 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.34 24.2 2.47 Favored Glycine 0 C--N 1.294 -1.764 0 O-C-N 124.753 1.283 . . . . 0.0 110.978 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.2 m -137.43 152.04 49.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 0.765 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.6 m -127.32 141.73 51.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -89.62 -43.52 10.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.1 m -70.68 110.58 5.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.34 145.27 55.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.64 -15.19 63.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.84 131.05 50.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.56 144.04 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.79 88.95 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.362 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.44 69.85 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 174.025 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.637 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.5 t90 -34.82 145.69 0.18 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -174.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.637 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.03 -15.86 21.87 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.971 -8.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.924 HD13 HG22 ' A' ' 4' ' ' THR . 32.3 mm -94.47 160.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 21' ' ' ILE . 87.2 m -100.73 127.46 47.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 173.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.79 158.89 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -124.27 104.9 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 62.02 23.72 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.03 42.18 5.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 26' ' ' GLY . 16.8 mt -147.85 121.68 4.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 53.74 3.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.4 -33.49 4.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.5 tt0 -71.48 165.22 24.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 0.815 . . . . 0.0 110.244 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.989 HG22 HD13 ' A' ' 21' ' ' ILE . 2.3 p -131.12 150.75 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 13.0 p -119.74 46.12 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.03 -24.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -92.63 -33.71 14.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.22 15.44 3.77 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 124.398 1.061 . . . . 0.0 111.021 177.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.439 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 32.4 m -128.64 152.2 48.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.9 m -125.87 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.238 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.66 -42.36 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -71.12 110.01 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.23 139.22 58.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.12 -14.62 57.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 2.0 m -103.22 134.67 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.7 143.06 27.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.83 89.18 4.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.5 t -97.01 70.52 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.631 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.3 t90 -34.64 145.7 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.631 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.0 -15.95 21.72 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -9.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.989 HD13 HG22 ' A' ' 4' ' ' THR . 50.8 mm -94.79 158.31 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -170.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -101.87 129.71 48.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 165.71 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -132.28 99.26 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 67.19 25.83 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.641 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 86.8 40.09 7.3 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.1 mt -149.51 121.64 4.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.81 3.44 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.236 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.36 -35.64 3.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 78.4 tt0 -70.49 164.82 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.916 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -131.08 150.97 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 8' ' ' GLY . 14.6 p -116.93 47.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.503 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -91.75 -33.8 14.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.47 12.06 4.34 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 54.1 m -126.05 157.57 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.3 m -129.08 142.07 51.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -89.54 -39.42 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.6 m -75.29 109.84 9.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.32 142.65 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 -14.03 62.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.429 1.08 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.66 135.03 45.03 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.53 143.39 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -80.2 89.32 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.543 ' O ' ' C ' ' A' ' 19' ' ' TRP . 18.4 t -98.66 71.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 174.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.636 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.1 t90 -34.41 145.68 0.16 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -174.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.636 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.93 -16.65 20.82 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.082 -2.466 . . . . 0.0 110.996 -8.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.916 HD13 HG22 ' A' ' 4' ' ' THR . 3.2 mm -95.49 159.53 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -102.26 128.43 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -115.05 156.03 25.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.45 100.69 6.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.69 26.67 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.99 37.62 12.55 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -145.57 122.38 6.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.572 0.807 . . . . 0.0 109.404 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.07 -3.49 61.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 4' ' ' THR . 29.1 tt0 -86.11 167.08 15.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 0.721 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.519 HG22 HD13 ' A' ' 21' ' ' ILE . 3.2 p -132.69 150.65 52.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.5 p -138.6 46.82 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.88 -27.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.491 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -90.34 -28.76 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.59 9.8 7.5 Favored Glycine 0 C--N 1.289 -2.046 0 O-C-N 124.722 1.264 . . . . 0.0 111.027 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 34.1 m -119.26 153.09 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.8 m -125.22 127.62 47.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -88.73 25.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -139.32 109.81 6.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.78 139.66 57.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.246 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.07 -10.79 62.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.08 135.46 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.72 142.81 27.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -80.46 87.21 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.5 73.58 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 173.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 19.7 t90 -34.23 145.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 -174.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.657 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.96 -16.38 21.17 Favored 'Cis proline' 0 C--N 1.358 1.078 0 C-N-CA 121.097 -2.459 . . . . 0.0 111.007 -8.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.519 HD13 HG22 ' A' ' 4' ' ' THR . 3.5 mm -97.81 165.89 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -170.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.49 ' N ' HG22 ' A' ' 21' ' ' ILE . 64.2 m -100.46 138.46 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 108.242 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.3 157.59 31.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.7 101.12 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 62.82 25.07 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.222 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.772 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.4 44.81 4.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 26' ' ' GLY . 23.5 mt -150.61 118.83 3.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.17 3.26 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.32 -39.97 3.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.54 165.55 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.902 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -130.2 150.33 51.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 20.1 p -111.98 45.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.453 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.79 -26.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.453 HD23 HG22 ' A' ' 6' ' ' THR . 2.5 mt -89.94 -34.37 16.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.88 8.68 4.58 Favored Glycine 0 C--N 1.285 -2.298 0 O-C-N 124.299 1.0 . . . . 0.0 111.047 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 16.9 m -126.16 163.22 23.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 110.444 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.44 144.19 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 108.239 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.89 -20.08 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 m -100.29 113.87 26.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.46 149.76 45.31 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.98 -16.54 56.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.48 134.39 43.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -89.48 147.16 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.08 91.19 5.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -98.98 68.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 174.246 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.626 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.6 t90 -34.78 145.33 0.19 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 108.082 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.05 -16.25 21.47 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.936 -2.527 . . . . 0.0 111.024 -8.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.902 HD13 HG22 ' A' ' 4' ' ' THR . 3.1 mm -93.65 160.96 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.248 -170.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 80.4 m -102.02 126.89 49.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 108.221 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -113.84 158.6 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -126.35 103.03 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 62.39 26.22 15.65 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.77 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 86.41 42.21 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -150.07 120.15 3.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.06 3.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.0 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.21 -37.02 3.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -69.88 169.0 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.863 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -131.75 150.8 52.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -115.66 42.06 2.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.516 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.55 -26.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.516 HD23 HG22 ' A' ' 6' ' ' THR . 1.9 mt -91.35 -34.2 14.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.3 18.14 2.57 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 177.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.442 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.1 m -135.57 160.56 38.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.9 m -121.17 157.99 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -102.53 -24.54 13.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -100.23 116.41 32.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.08 150.52 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.05 -16.52 55.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.9 130.89 45.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 145.28 25.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -76.65 90.19 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.92 67.75 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.616 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 9.7 t90 -34.6 145.03 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.616 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -74.97 -15.79 21.83 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.031 -8.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.863 HD13 HG22 ' A' ' 4' ' ' THR . 3.7 mm -93.81 161.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -170.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 21' ' ' ILE . 57.3 m -101.83 130.18 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.89 162.13 18.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.2 ttm180 -128.43 89.68 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' A' ' 25' ' ' ASN . 1.1 m120 75.85 24.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.242 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.67 34.05 8.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -141.98 121.53 8.05 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.61 3.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.9 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.96 -41.65 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.83 167.72 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 1.032 HG22 HD13 ' A' ' 21' ' ' ILE . 3.3 p -133.24 151.07 51.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' THR . 25.4 p -113.76 45.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.48 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.1 -26.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.48 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -89.72 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.604 1.19 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.24 5.77 5.5 Favored Glycine 0 C--N 1.286 -2.242 0 O-C-N 124.312 1.007 . . . . 0.0 110.936 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 37.0 m -122.98 159.57 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 0.723 . . . . 0.0 110.442 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.3 m -122.44 147.3 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.271 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -90.64 -36.7 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 m -85.99 110.54 19.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.89 148.78 42.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.47 -16.78 59.16 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.17 138.71 33.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.67 143.01 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -80.26 86.79 5.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.606 1.191 . . . . 0.0 108.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.528 ' O ' ' C ' ' A' ' 19' ' ' TRP . 43.0 t -94.85 67.82 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.615 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.94 145.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.615 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.07 -15.48 22.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.979 -8.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.032 HD13 HG22 ' A' ' 4' ' ' THR . 30.2 mm -92.47 155.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.3 m -101.79 130.17 48.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 108.267 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -109.67 175.0 5.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 45.7 ttt180 -139.26 87.24 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 10.3 m-80 77.26 24.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.76 35.4 7.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.0 mt -146.65 124.08 5.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.2 Cg_endo -75.02 54.42 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.16 -38.56 3.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 4' ' ' THR . 75.3 tt0 -69.73 165.55 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 1.006 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -129.14 151.17 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.466 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.9 p -118.53 43.94 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 108.361 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.52 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.36 -27.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.52 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -89.65 -33.03 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.81 21.0 3.02 Favored Glycine 0 C--N 1.298 -1.551 0 O-C-N 124.678 1.236 . . . . 0.0 110.932 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 23.7 m -135.65 160.46 38.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.8 m -132.07 142.05 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -89.59 -36.63 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -78.41 110.21 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -63.11 144.63 56.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.45 -14.18 64.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.44 132.48 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.81 145.58 25.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.46 90.06 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 108.301 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.4 70.84 2.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.932 174.192 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.659 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.67 146.17 0.16 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.14 . . . . 0.0 107.95 -174.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.659 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -75.0 -15.47 22.24 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.051 -8.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.006 HD13 HG22 ' A' ' 4' ' ' THR . 3.4 mm -96.89 163.81 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.456 ' N ' HG22 ' A' ' 21' ' ' ILE . 84.2 m -101.18 137.13 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.267 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.32 161.62 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -128.0 98.93 5.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.077 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.41 ' ND2' ' HG2' ' A' ' 24' ' ' ARG . 19.5 m-80 69.09 23.07 6.62 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.63 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.26 41.15 5.9 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.5 mt -149.17 125.07 5.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.596 0.821 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 54.39 3.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.7 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.45 -41.45 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.96 164.03 24.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.627 HG22 HD13 ' A' ' 21' ' ' ILE . 2.5 p -126.14 151.64 47.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.9 p -114.58 42.98 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.469 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.0 -26.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 110.446 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.469 HD23 HG22 ' A' ' 6' ' ' THR . 2.3 mt -90.2 -35.98 15.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.65 18.81 2.38 Favored Glycine 0 C--N 1.294 -1.774 0 O-C-N 124.581 1.176 . . . . 0.0 111.024 176.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 36.3 m -134.85 159.32 41.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.4 m -120.18 157.04 29.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -104.81 -31.75 9.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -89.82 116.75 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -61.6 150.35 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.11 -13.99 60.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.61 145.47 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 144.71 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.32 90.02 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 2.3 p -97.33 68.51 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.4 t90 -34.69 145.25 0.19 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.534 1.146 . . . . 0.0 108.047 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.621 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -16.03 21.53 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.022 -8.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.627 HD13 HG22 ' A' ' 4' ' ' THR . 2.2 mm -93.78 160.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -170.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.5 m -101.69 123.64 46.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 174.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -112.84 160.37 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -128.18 103.67 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 61.38 27.56 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.676 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 85.6 42.04 7.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.424 1.078 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.0 mt -149.66 118.81 3.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 55.31 3.94 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.3 -40.31 3.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.06 163.87 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 1.033 HG22 HD13 ' A' ' 21' ' ' ILE . 4.7 p -125.93 152.47 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 11.8 p -116.75 43.13 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.494 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.64 -26.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.494 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -90.56 -34.72 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.39 21.05 2.56 Favored Glycine 0 C--N 1.295 -1.736 0 O-C-N 124.722 1.264 . . . . 0.0 111.039 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.433 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 67.7 m -134.22 157.21 46.85 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 0.745 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.2 m -124.58 144.08 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 108.326 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -89.59 -40.93 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 m -80.51 115.91 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.92 151.63 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.04 48.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -96.67 130.05 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.53 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.21 89.27 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 108.286 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.02 67.23 3.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.026 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.5 t90 -34.79 144.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 108.041 -174.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.98 -15.81 21.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.921 -8.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.033 HD13 HG22 ' A' ' 4' ' ' THR . 47.9 mm -92.66 159.7 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -170.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.4 m -101.66 128.61 47.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.315 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.4 159.35 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -126.9 98.86 5.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 66.15 25.42 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.716 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 88.14 41.3 6.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 26' ' ' GLY . 22.6 mt -149.72 121.6 4.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 0.796 . . . . 0.0 109.265 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 54.42 3.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.6 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.11 -38.29 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.55 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.5 tt0 -69.68 165.41 21.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 1.063 HG22 HD13 ' A' ' 21' ' ' ILE . 1.8 p -129.76 151.49 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 p -119.61 44.31 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.452 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.05 -25.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.452 HD23 HG22 ' A' ' 6' ' ' THR . 2.5 mt -89.94 -34.45 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.66 15.49 3.25 Favored Glycine 0 C--N 1.29 -2.007 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.427 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 92.0 m -133.84 157.16 46.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 0.833 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -124.84 144.58 50.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 11.6 m-30 -89.49 -36.82 15.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -79.17 111.64 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -63.42 144.27 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.1 -15.75 61.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.074 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.42 133.12 47.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.6 146.04 24.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -79.35 91.27 5.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 108.329 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.533 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -98.7 69.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 174.152 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.652 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.6 t90 -35.1 146.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.652 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.01 -15.81 21.9 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.995 -8.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.063 HD13 HG22 ' A' ' 4' ' ' THR . 18.9 mm -94.97 161.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -170.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' N ' HG22 ' A' ' 21' ' ' ILE . 91.4 m -100.82 133.74 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 108.334 173.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.58 156.91 29.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -121.53 96.2 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 70.74 23.73 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.42 40.73 5.96 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 26' ' ' GLY . 17.9 mt -146.62 122.07 5.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.402 0.707 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.66 -40.01 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.78 167.97 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.911 HG22 HD13 ' A' ' 21' ' ' ILE . 2.0 p -132.93 151.01 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 9' ' ' THR . 21.6 p -114.35 47.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.477 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.97 -25.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.468 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.477 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -90.91 -34.12 15.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.44 5.31 5.56 Favored Glycine 0 C--N 1.29 -1.976 0 O-C-N 124.275 0.984 . . . . 0.0 111.03 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 63.0 m -120.99 158.73 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -116.18 159.89 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -105.14 -27.02 11.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.7 m -100.21 117.8 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -61.76 151.32 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -16.99 47.15 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 m -96.88 133.0 42.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.54 143.75 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -80.09 90.11 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.2 t -98.66 70.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.942 174.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.634 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.48 145.71 0.17 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -174.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.634 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.9 -16.21 21.24 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.997 -8.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.911 HD13 HG22 ' A' ' 4' ' ' THR . 3.1 mm -95.08 158.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.32 129.43 48.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 108.31 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -113.08 163.89 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.52 HH11 HG13 ' A' ' 29' ' ' VAL . 1.9 ttm105 -129.17 95.13 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 1.4 m120 72.76 24.7 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 87.89 36.02 8.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.2 mt -145.69 124.36 6.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.794 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.3 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.41 -41.17 2.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.432 1.082 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 166.29 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.944 HG22 HD13 ' A' ' 21' ' ' ILE . 19.4 p -125.28 170.99 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -140.61 43.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.535 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.51 -28.65 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.535 HD23 HG22 ' A' ' 6' ' ' THR . 1.7 mt -89.78 -28.31 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 117.78 20.53 4.54 Favored Glycine 0 C--N 1.288 -2.111 0 O-C-N 124.731 1.269 . . . . 0.0 111.024 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 61.4 m -130.07 157.86 41.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.2 m -126.94 146.54 50.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.53 -39.99 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m -82.7 110.68 17.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.0 153.37 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.63 -16.79 48.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.403 1.064 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.28 134.22 41.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.55 144.44 26.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.45 90.35 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 108.223 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 70.1 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 173.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.626 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 15.4 t90 -34.52 145.24 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.0 -16.69 20.91 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -8.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.944 HD13 HG22 ' A' ' 4' ' ' THR . 19.1 mm -94.45 163.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -170.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.459 ' N ' HG22 ' A' ' 21' ' ' ILE . 90.3 m -100.7 144.57 29.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 173.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 1.8 mptp? -129.73 153.73 47.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 13.0 ttt85 -116.38 101.28 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 24' ' ' ARG . 2.9 m-80 63.34 24.24 14.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.556 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 91.16 44.12 4.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.3 mt -149.66 120.62 4.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.0 Cg_endo -75.08 53.86 3.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 55.7 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.14 -41.26 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.554 1.159 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -69.84 163.8 25.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.7 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -130.11 150.73 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 8' ' ' GLY . 17.2 p -115.04 46.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.502 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.4 -25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.502 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -92.58 -31.86 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.25 4.39 6.48 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.385 1.053 . . . . 0.0 110.997 177.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.435 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 26.1 m -119.12 152.14 37.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 m -110.01 147.24 33.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -103.63 20.37 18.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.1 m -147.56 111.06 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.7 149.9 33.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.49 -15.5 61.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.7 m -102.03 151.73 21.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.06 143.71 32.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.44 86.48 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.537 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.7 t -95.2 68.03 3.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.616 1.197 . . . . 0.0 109.984 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.612 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.0 t90 -34.48 145.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 -174.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -15.7 21.89 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.956 -8.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.7 HD13 HG22 ' A' ' 4' ' ' THR . 19.7 mm -93.4 156.57 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -170.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.49 132.57 47.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -110.08 173.18 6.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 59.9 ttt-85 -134.77 80.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 4.3 m-20 80.66 21.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 96.35 35.28 5.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.3 mt -147.63 123.35 5.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.1 Cg_endo -75.05 55.03 3.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.6 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.17 -36.03 3.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.0 tt0 -70.21 165.52 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.565 HG22 HD13 ' A' ' 21' ' ' ILE . 3.3 p -128.6 152.18 48.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.0 p -123.73 43.04 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.368 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.499 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.12 -26.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.465 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.499 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -90.31 -33.36 16.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.75 23.87 2.69 Favored Glycine 0 C--N 1.293 -1.846 0 O-C-N 124.66 1.225 . . . . 0.0 110.995 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.43 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 34.6 m -136.39 153.03 51.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 0.746 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 95.1 m -128.79 141.42 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.192 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -89.53 -42.94 11.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -70.25 110.38 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.6 144.74 56.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.11 -13.31 67.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.16 131.08 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.52 143.82 26.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.5 89.31 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 108.37 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 69.59 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 174.217 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.8 t90 -34.89 145.82 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.026 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.64 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.0 Cg_endo -75.03 -15.6 22.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.975 -8.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.565 HD13 HG22 ' A' ' 4' ' ' THR . 2.6 mm -94.68 160.65 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -170.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.413 ' N ' HG22 ' A' ' 21' ' ' ILE . 84.8 m -100.75 130.48 46.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 108.255 173.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.46 160.89 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 13.6 ttt85 -126.06 97.5 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.236 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' A' ' 24' ' ' ARG . 13.5 m-80 70.51 21.86 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.56 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.8 40.89 5.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.0 mt -148.19 124.93 5.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 29' ' ' VAL . 10.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.223 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 20.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.1 -43.02 1.9 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.71 165.14 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.829 HG22 HD13 ' A' ' 21' ' ' ILE . 3.1 p -125.51 151.55 46.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.0 p -114.13 43.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.351 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.478 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.53 -26.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.478 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -90.18 -32.71 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.42 15.89 3.59 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 177.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 17.2 m -130.71 162.73 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.461 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.63 141.73 51.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 108.228 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.46 -19.81 24.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -100.22 115.25 29.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.28 151.34 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.34 -13.27 55.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 111.043 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.35 142.42 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.53 90.32 4.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.525 ' CB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -96.72 70.85 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.036 173.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.671 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.8 t90 -36.25 146.8 0.2 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 107.991 -174.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.671 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.03 -15.28 22.52 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.979 -9.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.829 HD13 HG22 ' A' ' 4' ' ' THR . 10.9 mm -92.0 155.6 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -170.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.9 m -92.86 142.96 26.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.256 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' CG ' ' CB ' ' A' ' 18' ' ' SER . 6.0 mmmm -121.35 169.3 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.9 ttt180 -134.59 76.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 7.0 m-20 80.78 21.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.73 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 97.78 35.74 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 26' ' ' GLY . 22.5 mt -150.2 124.57 4.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.421 ' N ' ' HE2' ' A' ' 23' ' ' LYS . 18.3 Cg_endo -75.09 54.62 3.74 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.9 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.16 -39.16 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.413 1.07 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.76 165.07 22.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.961 HG22 HD13 ' A' ' 21' ' ' ILE . 4.7 p -131.28 150.86 51.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 9' ' ' THR . 18.1 p -117.36 47.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.349 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.33 -25.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.515 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -92.91 -29.59 15.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.55 4.02 8.34 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.696 1.248 . . . . 0.0 110.959 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 93.1 m -117.73 156.81 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.2 m -122.26 148.8 44.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -93.33 -37.75 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.3 m -84.73 110.62 18.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -62.47 147.97 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.75 -17.16 59.18 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.38 138.44 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.65 142.63 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.41 89.36 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.264 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.4 t -98.05 70.57 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 173.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.616 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.8 t90 -34.69 145.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.616 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.05 -16.74 20.92 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.029 -8.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.961 HD13 HG22 ' A' ' 4' ' ' THR . 50.0 mm -93.51 157.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -170.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.83 125.25 48.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.78 162.32 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.44 105.85 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 62.74 24.63 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.06 37.46 8.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -146.15 121.93 5.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 54.59 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.99 -35.04 3.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.545 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.3 tt0 -72.42 165.15 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.803 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -131.68 150.46 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 15.9 p -119.87 49.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.487 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -91.61 -32.84 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.75 10.33 5.91 Favored Glycine 0 C--N 1.29 -2.028 0 O-C-N 124.302 1.001 . . . . 0.0 110.927 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.441 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 1.9 m -122.89 143.39 49.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 110.34 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.1 m -115.87 139.73 49.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.344 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.545 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 13.4 m-30 -89.55 -30.61 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -82.74 110.14 17.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -66.09 139.55 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.84 -11.34 60.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.566 1.166 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.57 137.05 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.5 144.05 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -80.12 86.74 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 19' ' ' TRP . 42.1 t -95.14 68.71 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 174.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.614 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 17.3 t90 -34.83 145.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.019 -174.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.06 -15.59 22.25 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.974 -8.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.803 HD13 HG22 ' A' ' 4' ' ' THR . 4.8 mm -93.38 155.97 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -170.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -101.66 129.58 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 108.329 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 172.93 6.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -138.83 92.35 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 73.67 22.85 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.644 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.83 37.13 6.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.9 mt -148.3 124.53 5.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.41 0.712 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.73 -32.78 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' THR . 81.1 tt0 -71.93 165.35 24.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.989 HG22 HD13 ' A' ' 21' ' ' ILE . 1.9 p -129.77 151.09 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.2 p -119.96 44.59 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.488 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.91 -25.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.488 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -91.57 -33.56 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.91 19.2 3.37 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.301 1.0 . . . . 0.0 111.0 177.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.433 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 89.9 m -131.64 154.86 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 0.717 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -129.53 140.95 51.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.49 -42.38 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -71.49 110.45 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -62.98 147.46 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.38 -11.96 70.64 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -104.24 131.76 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 144.96 25.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.93 89.07 4.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 108.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -96.04 69.17 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 174.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.62 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.7 t90 -34.57 145.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 108.023 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.62 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.01 -16.17 21.5 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.998 -8.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.989 HD13 HG22 ' A' ' 4' ' ' THR . 9.3 mm -94.05 159.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 -170.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -101.09 125.07 47.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 108.318 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -111.0 162.15 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -129.12 103.3 6.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 62.18 22.38 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.777 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.87 40.69 5.51 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -149.65 121.06 4.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.405 0.709 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.14 54.19 3.63 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.6 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.46 -37.06 3.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 4' ' ' THR . 79.6 tt0 -70.03 165.22 22.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.926 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -130.8 150.81 51.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.2 p -116.02 43.61 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.71 -26.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -91.26 -33.45 15.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.379 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.53 19.14 3.18 Favored Glycine 0 C--N 1.293 -1.811 0 O-C-N 124.36 1.037 . . . . 0.0 110.931 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.431 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 98.7 m -133.92 156.08 48.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 0.743 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.7 m -129.26 140.7 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.327 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.47 -39.95 13.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -72.07 110.16 6.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.445 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.81 141.29 58.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.67 -14.98 60.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.03 142.6 33.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.85 143.68 28.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.74 90.0 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.541 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.56 68.54 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.054 174.121 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.617 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.3 t90 -34.5 145.04 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.617 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.06 -16.2 21.55 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.991 -8.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.926 HD13 HG22 ' A' ' 4' ' ' THR . 4.3 mm -93.98 160.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 84.8 m -101.53 125.36 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 173.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -111.93 160.02 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -127.14 104.17 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 61.39 26.83 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.689 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 85.71 42.2 6.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.6 mt -149.94 120.15 3.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.31 3.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.7 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.85 -32.74 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 4' ' ' THR . 80.7 tt0 -73.65 165.28 25.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 0.805 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.924 HG22 HD13 ' A' ' 21' ' ' ILE . 2.2 p -128.95 151.15 49.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 8' ' ' GLY . 8.9 p -122.37 42.65 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.51 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.83 -26.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -90.81 -33.93 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.34 24.2 2.47 Favored Glycine 0 C--N 1.294 -1.764 0 O-C-N 124.753 1.283 . . . . 0.0 110.978 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.2 m -137.43 152.04 49.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 0.765 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.6 m -127.32 141.73 51.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -89.62 -43.52 10.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.1 m -70.68 110.58 5.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.34 145.27 55.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.64 -15.19 63.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.84 131.05 50.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.56 144.04 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.79 88.95 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.362 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.44 69.85 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 174.025 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.637 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.5 t90 -34.82 145.69 0.18 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -174.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.637 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.03 -15.86 21.87 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.971 -8.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.924 HD13 HG22 ' A' ' 4' ' ' THR . 32.3 mm -94.47 160.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 21' ' ' ILE . 87.2 m -100.73 127.46 47.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 173.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.79 158.89 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -124.27 104.9 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 62.02 23.72 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.03 42.18 5.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 26' ' ' GLY . 16.8 mt -147.85 121.68 4.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 53.74 3.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.4 -33.49 4.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.5 tt0 -71.48 165.22 24.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 0.815 . . . . 0.0 110.244 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.989 HG22 HD13 ' A' ' 21' ' ' ILE . 2.3 p -131.12 150.75 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 13.0 p -119.74 46.12 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.03 -24.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -92.63 -33.71 14.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.22 15.44 3.77 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 124.398 1.061 . . . . 0.0 111.021 177.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.439 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 32.4 m -128.64 152.2 48.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.9 m -125.87 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.238 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.66 -42.36 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -71.12 110.01 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.23 139.22 58.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.12 -14.62 57.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 2.0 m -103.22 134.67 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.7 143.06 27.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.83 89.18 4.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.5 t -97.01 70.52 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.631 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.3 t90 -34.64 145.7 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.631 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.0 -15.95 21.72 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -9.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.989 HD13 HG22 ' A' ' 4' ' ' THR . 50.8 mm -94.79 158.31 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -170.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -101.87 129.71 48.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 165.71 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -132.28 99.26 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 67.19 25.83 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.641 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 86.8 40.09 7.3 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.1 mt -149.51 121.64 4.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.81 3.44 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.236 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.36 -35.64 3.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 78.4 tt0 -70.49 164.82 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.916 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -131.08 150.97 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 8' ' ' GLY . 14.6 p -116.93 47.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.503 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.503 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -91.75 -33.8 14.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.47 12.06 4.34 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 54.1 m -126.05 157.57 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.3 m -129.08 142.07 51.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -89.54 -39.42 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.6 m -75.29 109.84 9.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.32 142.65 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 -14.03 62.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.429 1.08 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.66 135.03 45.03 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.53 143.39 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -80.2 89.32 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.543 ' O ' ' C ' ' A' ' 19' ' ' TRP . 18.4 t -98.66 71.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 174.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.636 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.1 t90 -34.41 145.68 0.16 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -174.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.636 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.93 -16.65 20.82 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.082 -2.466 . . . . 0.0 110.996 -8.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.916 HD13 HG22 ' A' ' 4' ' ' THR . 3.2 mm -95.49 159.53 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -102.26 128.43 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -115.05 156.03 25.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.45 100.69 6.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.488 ' ND2' ' N ' ' A' ' 25' ' ' ASN . 0.8 OUTLIER 69.69 26.67 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.99 37.62 12.55 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -145.57 122.38 6.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.572 0.807 . . . . 0.0 109.404 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.07 -3.49 61.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 4' ' ' THR . 29.1 tt0 -86.11 167.08 15.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 0.721 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.519 HG22 HD13 ' A' ' 21' ' ' ILE . 3.2 p -132.69 150.65 52.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.5 p -138.6 46.82 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.88 -27.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.491 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -90.34 -28.76 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.59 9.8 7.5 Favored Glycine 0 C--N 1.289 -2.046 0 O-C-N 124.722 1.264 . . . . 0.0 111.027 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 34.1 m -119.26 153.09 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.8 m -125.22 127.62 47.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -88.73 25.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -139.32 109.81 6.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.78 139.66 57.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.246 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.07 -10.79 62.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.08 135.46 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.72 142.81 27.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -80.46 87.21 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.5 73.58 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 173.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 19.7 t90 -34.23 145.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 -174.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.657 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.96 -16.38 21.17 Favored 'Cis proline' 0 C--N 1.358 1.078 0 C-N-CA 121.097 -2.459 . . . . 0.0 111.007 -8.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.519 HD13 HG22 ' A' ' 4' ' ' THR . 3.5 mm -97.81 165.89 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -170.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.49 ' N ' HG22 ' A' ' 21' ' ' ILE . 64.2 m -100.46 138.46 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 108.242 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.3 157.59 31.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.7 101.12 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 62.82 25.07 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.222 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.772 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.4 44.81 4.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 26' ' ' GLY . 23.5 mt -150.61 118.83 3.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.17 3.26 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.32 -39.97 3.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.54 165.55 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.902 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -130.2 150.33 51.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 20.1 p -111.98 45.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.279 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.453 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.79 -26.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.453 HD23 HG22 ' A' ' 6' ' ' THR . 2.5 mt -89.94 -34.37 16.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.88 8.68 4.58 Favored Glycine 0 C--N 1.285 -2.298 0 O-C-N 124.299 1.0 . . . . 0.0 111.047 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 16.9 m -126.16 163.22 23.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 110.444 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.44 144.19 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 108.239 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.89 -20.08 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 m -100.29 113.87 26.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.46 149.76 45.31 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.98 -16.54 56.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.48 134.39 43.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -89.48 147.16 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.08 91.19 5.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -98.98 68.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 174.246 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.626 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.6 t90 -34.78 145.33 0.19 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 108.082 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.05 -16.25 21.47 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.936 -2.527 . . . . 0.0 111.024 -8.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.902 HD13 HG22 ' A' ' 4' ' ' THR . 3.1 mm -93.65 160.96 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.248 -170.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 80.4 m -102.02 126.89 49.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 108.221 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -113.84 158.6 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -126.35 103.03 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 62.39 26.22 15.65 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.77 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 86.41 42.21 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -150.07 120.15 3.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.06 3.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.0 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.21 -37.02 3.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -69.88 169.0 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.863 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -131.75 150.8 52.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.418 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -115.66 42.06 2.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.516 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.55 -26.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.516 HD23 HG22 ' A' ' 6' ' ' THR . 1.9 mt -91.35 -34.2 14.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.3 18.14 2.57 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 177.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.442 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.1 m -135.57 160.56 38.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.9 m -121.17 157.99 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -102.53 -24.54 13.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -100.23 116.41 32.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.08 150.52 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.05 -16.52 55.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.9 130.89 45.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 145.28 25.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -76.65 90.19 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.92 67.75 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.616 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 9.7 t90 -34.6 145.03 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -74.97 -15.79 21.83 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.031 -8.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.863 HD13 HG22 ' A' ' 4' ' ' THR . 3.7 mm -93.81 161.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -170.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 21' ' ' ILE . 57.3 m -101.83 130.18 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 173.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.89 162.13 18.22 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.2 ttm180 -128.43 89.68 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' A' ' 25' ' ' ASN . 1.1 m120 75.85 24.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.242 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.67 34.05 8.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -141.98 121.53 8.05 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.61 3.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.9 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.96 -41.65 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.83 167.72 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.032 HG22 HD13 ' A' ' 21' ' ' ILE . 3.3 p -133.24 151.07 51.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' THR . 25.4 p -113.76 45.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.48 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.1 -26.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.48 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -89.72 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.604 1.19 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.24 5.77 5.5 Favored Glycine 0 C--N 1.286 -2.242 0 O-C-N 124.312 1.007 . . . . 0.0 110.936 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 37.0 m -122.98 159.57 28.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 0.723 . . . . 0.0 110.442 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.3 m -122.44 147.3 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.271 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -90.64 -36.7 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 m -85.99 110.54 19.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.89 148.78 42.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.47 -16.78 59.16 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.17 138.71 33.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.67 143.01 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -80.26 86.79 5.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.606 1.191 . . . . 0.0 108.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.528 ' O ' ' C ' ' A' ' 19' ' ' TRP . 43.0 t -94.85 67.82 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.615 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.94 145.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.615 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.07 -15.48 22.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.979 -8.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.032 HD13 HG22 ' A' ' 4' ' ' THR . 30.2 mm -92.47 155.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.3 m -101.79 130.17 48.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 108.267 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -109.67 175.0 5.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 45.7 ttt180 -139.26 87.24 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 10.3 m-80 77.26 24.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.76 35.4 7.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.0 mt -146.65 124.08 5.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.2 Cg_endo -75.02 54.42 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.16 -38.56 3.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 4' ' ' THR . 75.3 tt0 -69.73 165.55 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.006 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -129.14 151.17 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.466 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.9 p -118.53 43.94 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 108.361 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.52 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.36 -27.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.52 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -89.65 -33.03 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.81 21.0 3.02 Favored Glycine 0 C--N 1.298 -1.551 0 O-C-N 124.678 1.236 . . . . 0.0 110.932 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.434 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 23.7 m -135.65 160.46 38.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.8 m -132.07 142.05 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -89.59 -36.63 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -78.41 110.21 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -63.11 144.63 56.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.45 -14.18 64.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.44 132.48 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.81 145.58 25.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.46 90.06 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 108.301 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.4 70.84 2.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.932 174.192 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.659 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.67 146.17 0.16 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.14 . . . . 0.0 107.95 -174.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.659 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -75.0 -15.47 22.24 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.051 -8.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.006 HD13 HG22 ' A' ' 4' ' ' THR . 3.4 mm -96.89 163.81 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.456 ' N ' HG22 ' A' ' 21' ' ' ILE . 84.2 m -101.18 137.13 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.267 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.32 161.62 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -128.0 98.93 5.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.077 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.41 ' ND2' ' HG2' ' A' ' 24' ' ' ARG . 19.5 m-80 69.09 23.07 6.62 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.63 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.26 41.15 5.9 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.5 mt -149.17 125.07 5.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.596 0.821 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 54.39 3.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.7 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.45 -41.45 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.96 164.03 24.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.789 . . . . 0.0 110.263 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.627 HG22 HD13 ' A' ' 21' ' ' ILE . 2.5 p -126.14 151.64 47.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.9 p -114.58 42.98 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.469 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.0 -26.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 0.0 110.446 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.469 HD23 HG22 ' A' ' 6' ' ' THR . 2.3 mt -90.2 -35.98 15.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 125.65 18.81 2.38 Favored Glycine 0 C--N 1.294 -1.774 0 O-C-N 124.581 1.176 . . . . 0.0 111.024 176.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 36.3 m -134.85 159.32 41.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.4 m -120.18 157.04 29.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -104.81 -31.75 9.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -89.82 116.75 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -61.6 150.35 36.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.11 -13.99 60.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.61 145.47 27.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 144.71 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.32 90.02 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 2.3 p -97.33 68.51 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 10.4 t90 -34.69 145.25 0.19 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.534 1.146 . . . . 0.0 108.047 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.621 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -16.03 21.53 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.022 -8.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.627 HD13 HG22 ' A' ' 4' ' ' THR . 2.2 mm -93.78 160.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -170.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.5 m -101.69 123.64 46.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 174.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -112.84 160.37 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -128.18 103.67 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 61.38 27.56 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.676 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 85.6 42.04 7.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.424 1.078 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.0 mt -149.66 118.81 3.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 55.31 3.94 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.3 -40.31 3.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.06 163.87 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.033 HG22 HD13 ' A' ' 21' ' ' ILE . 4.7 p -125.93 152.47 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 11.8 p -116.75 43.13 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.494 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.64 -26.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.494 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -90.56 -34.72 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.39 21.05 2.56 Favored Glycine 0 C--N 1.295 -1.736 0 O-C-N 124.722 1.264 . . . . 0.0 111.039 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.433 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 67.7 m -134.22 157.21 46.85 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 0.745 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.2 m -124.58 144.08 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 108.326 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -89.59 -40.93 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 m -80.51 115.91 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.92 151.63 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.04 48.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -96.67 130.05 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.53 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.21 89.27 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 108.286 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' ' C ' ' A' ' 19' ' ' TRP . 1.2 m -95.02 67.23 3.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.026 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.5 t90 -34.79 144.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 108.041 -174.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.98 -15.81 21.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.921 -8.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.033 HD13 HG22 ' A' ' 4' ' ' THR . 47.9 mm -92.66 159.7 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -170.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.4 m -101.66 128.61 47.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.315 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.4 159.35 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -126.9 98.86 5.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 66.15 25.42 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.716 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 88.14 41.3 6.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 26' ' ' GLY . 22.6 mt -149.72 121.6 4.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 0.796 . . . . 0.0 109.265 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 54.42 3.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.6 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.11 -38.29 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.55 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.5 tt0 -69.68 165.41 21.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.063 HG22 HD13 ' A' ' 21' ' ' ILE . 1.8 p -129.76 151.49 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 p -119.61 44.31 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.452 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.05 -25.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.452 HD23 HG22 ' A' ' 6' ' ' THR . 2.5 mt -89.94 -34.45 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.66 15.49 3.25 Favored Glycine 0 C--N 1.29 -2.007 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.427 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 92.0 m -133.84 157.16 46.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.616 0.833 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -124.84 144.58 50.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 11.6 m-30 -89.49 -36.82 15.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -79.17 111.64 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -63.42 144.27 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.1 -15.75 61.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.074 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.42 133.12 47.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.6 146.04 24.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -79.35 91.27 5.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 108.329 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.533 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -98.7 69.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 174.152 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.652 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.6 t90 -35.1 146.11 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.652 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.01 -15.81 21.9 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.995 -8.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.063 HD13 HG22 ' A' ' 4' ' ' THR . 18.9 mm -94.97 161.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -170.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' N ' HG22 ' A' ' 21' ' ' ILE . 91.4 m -100.82 133.74 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 108.334 173.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.58 156.91 29.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -121.53 96.2 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 70.74 23.73 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.42 40.73 5.96 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 26' ' ' GLY . 17.9 mt -146.62 122.07 5.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.402 0.707 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.66 -40.01 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.78 167.97 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.911 HG22 HD13 ' A' ' 21' ' ' ILE . 2.0 p -132.93 151.01 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 9' ' ' THR . 21.6 p -114.35 47.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.477 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.97 -25.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.468 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -90.91 -34.12 15.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 127.44 5.31 5.56 Favored Glycine 0 C--N 1.29 -1.976 0 O-C-N 124.275 0.984 . . . . 0.0 111.03 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 63.0 m -120.99 158.73 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -116.18 159.89 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -105.14 -27.02 11.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.7 m -100.21 117.8 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -61.76 151.32 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -16.99 47.15 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 m -96.88 133.0 42.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.54 143.75 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -80.09 90.11 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.2 t -98.66 70.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.942 174.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.634 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.4 t90 -34.48 145.71 0.17 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -174.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.634 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.9 -16.21 21.24 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.997 -8.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.911 HD13 HG22 ' A' ' 4' ' ' THR . 3.1 mm -95.08 158.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.32 129.43 48.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 108.31 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HE3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -113.08 163.89 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.52 HH11 HG13 ' A' ' 29' ' ' VAL . 1.9 ttm105 -129.17 95.13 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 1.4 m120 72.76 24.7 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 87.89 36.02 8.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.2 mt -145.69 124.36 6.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.794 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.3 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.41 -41.17 2.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.432 1.082 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 166.29 19.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.944 HG22 HD13 ' A' ' 21' ' ' ILE . 19.4 p -125.28 170.99 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.1 p -140.61 43.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.535 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.51 -28.65 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.535 HD23 HG22 ' A' ' 6' ' ' THR . 1.7 mt -89.78 -28.31 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 117.78 20.53 4.54 Favored Glycine 0 C--N 1.288 -2.111 0 O-C-N 124.731 1.269 . . . . 0.0 111.024 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 61.4 m -130.07 157.86 41.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.2 m -126.94 146.54 50.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -91.53 -39.99 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m -82.7 110.68 17.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.0 153.37 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.63 -16.79 48.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.403 1.064 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.28 134.22 41.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.55 144.44 26.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.45 90.35 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 108.223 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 70.1 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 173.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.626 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 15.4 t90 -34.52 145.24 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.0 -16.69 20.91 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.004 -8.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.944 HD13 HG22 ' A' ' 4' ' ' THR . 19.1 mm -94.45 163.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -170.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.459 ' N ' HG22 ' A' ' 21' ' ' ILE . 90.3 m -100.7 144.57 29.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 173.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 1.8 mptp? -129.73 153.73 47.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 13.0 ttt85 -116.38 101.28 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 24' ' ' ARG . 2.9 m-80 63.34 24.24 14.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.556 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 91.16 44.12 4.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.3 mt -149.66 120.62 4.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.0 Cg_endo -75.08 53.86 3.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 55.7 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.14 -41.26 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.554 1.159 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -69.84 163.8 25.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.7 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -130.11 150.73 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 8' ' ' GLY . 17.2 p -115.04 46.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.502 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.4 -25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.502 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -92.58 -31.86 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 126.25 4.39 6.48 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.385 1.053 . . . . 0.0 110.997 177.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.435 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 26.1 m -119.12 152.14 37.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 m -110.01 147.24 33.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -103.63 20.37 18.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.1 m -147.56 111.06 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.7 149.9 33.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.49 -15.5 61.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.7 m -102.03 151.73 21.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.06 143.71 32.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.44 86.48 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.537 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.7 t -95.2 68.03 3.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.616 1.197 . . . . 0.0 109.984 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.612 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.0 t90 -34.48 145.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 -174.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.95 -15.7 21.89 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.956 -8.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.7 HD13 HG22 ' A' ' 4' ' ' THR . 19.7 mm -93.4 156.57 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -170.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.49 132.57 47.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 108.34 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -110.08 173.18 6.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 59.9 ttt-85 -134.77 80.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 4.3 m-20 80.66 21.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 96.35 35.28 5.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.608 1.192 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.3 mt -147.63 123.35 5.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 18.1 Cg_endo -75.05 55.03 3.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.6 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.17 -36.03 3.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.0 tt0 -70.21 165.52 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.565 HG22 HD13 ' A' ' 21' ' ' ILE . 3.3 p -128.6 152.18 48.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.0 p -123.73 43.04 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.368 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.499 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.12 -26.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.465 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.499 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -90.31 -33.36 16.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.75 23.87 2.69 Favored Glycine 0 C--N 1.293 -1.846 0 O-C-N 124.66 1.225 . . . . 0.0 110.995 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.43 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 34.6 m -136.39 153.03 51.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 0.746 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 95.1 m -128.79 141.42 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.192 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -89.53 -42.94 11.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -70.25 110.38 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.6 144.74 56.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.23 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.11 -13.31 67.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.16 131.08 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.52 143.82 26.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.5 89.31 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 108.37 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.57 69.59 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 174.217 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.8 t90 -34.89 145.82 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.026 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.64 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.0 Cg_endo -75.03 -15.6 22.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.975 -8.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.565 HD13 HG22 ' A' ' 4' ' ' THR . 2.6 mm -94.68 160.65 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -170.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.413 ' N ' HG22 ' A' ' 21' ' ' ILE . 84.8 m -100.75 130.48 46.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 108.255 173.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.46 160.89 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 13.6 ttt85 -126.06 97.5 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.236 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' A' ' 24' ' ' ARG . 13.5 m-80 70.51 21.86 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.56 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.8 40.89 5.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 26' ' ' GLY . 20.0 mt -148.19 124.93 5.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 29' ' ' VAL . 10.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.223 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 23' ' ' LYS . 20.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.1 -43.02 1.9 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.71 165.14 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.829 HG22 HD13 ' A' ' 21' ' ' ILE . 3.1 p -125.51 151.55 46.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.0 p -114.13 43.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.351 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.478 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.53 -26.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.478 HD23 HG22 ' A' ' 6' ' ' THR . 2.2 mt -90.18 -32.71 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.42 15.89 3.59 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 177.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 17.2 m -130.71 162.73 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.461 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.63 141.73 51.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 108.228 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.46 -19.81 24.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -100.22 115.25 29.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.28 151.34 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.34 -13.27 55.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 111.043 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.35 142.42 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.53 90.32 4.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.525 ' CB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -96.72 70.85 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.036 173.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.671 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.8 t90 -36.25 146.8 0.2 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 107.991 -174.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.671 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.03 -15.28 22.52 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.979 -9.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.829 HD13 HG22 ' A' ' 4' ' ' THR . 10.9 mm -92.0 155.6 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -170.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.9 m -92.86 142.96 26.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.256 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' CG ' ' CB ' ' A' ' 18' ' ' SER . 6.0 mmmm -121.35 169.3 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.9 ttt180 -134.59 76.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 7.0 m-20 80.78 21.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.73 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 97.78 35.74 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 26' ' ' GLY . 22.5 mt -150.2 124.57 4.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.421 ' N ' ' HE2' ' A' ' 23' ' ' LYS . 18.3 Cg_endo -75.09 54.62 3.74 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 29' ' ' VAL . 11.9 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.16 -39.16 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.413 1.07 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.76 165.07 22.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.961 HG22 HD13 ' A' ' 21' ' ' ILE . 4.7 p -131.28 150.86 51.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 9' ' ' THR . 18.1 p -117.36 47.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.349 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.33 -25.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.515 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -92.91 -29.59 15.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.55 4.02 8.34 Favored Glycine 0 C--N 1.29 -1.994 0 O-C-N 124.696 1.248 . . . . 0.0 110.959 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 93.1 m -117.73 156.81 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.2 m -122.26 148.8 44.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -93.33 -37.75 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.3 m -84.73 110.62 18.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -62.47 147.97 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.75 -17.16 59.18 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.38 138.44 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.65 142.63 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.41 89.36 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.264 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 19' ' ' TRP . 26.4 t -98.05 70.57 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 173.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.616 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 12.8 t90 -34.69 145.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -75.05 -16.74 20.92 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.029 -8.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.961 HD13 HG22 ' A' ' 4' ' ' THR . 50.0 mm -93.51 157.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -170.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.83 125.25 48.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.78 162.32 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.44 105.85 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 62.74 24.63 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.06 37.46 8.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -146.15 121.93 5.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 54.59 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.99 -35.04 3.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.545 ' OE2' ' CG ' ' A' ' 11' ' ' TYR . 76.3 tt0 -72.42 165.15 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.803 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -131.68 150.46 52.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' GLY . 15.9 p -119.87 49.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.365 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.487 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -91.61 -32.84 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.75 10.33 5.91 Favored Glycine 0 C--N 1.29 -2.028 0 O-C-N 124.302 1.001 . . . . 0.0 110.927 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.441 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 1.9 m -122.89 143.39 49.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 110.34 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.1 m -115.87 139.73 49.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.344 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.545 ' CG ' ' OE2' ' A' ' 3' ' ' GLU . 13.4 m-30 -89.55 -30.61 18.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -82.74 110.14 17.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -66.09 139.55 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.84 -11.34 60.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.566 1.166 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.57 137.05 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.5 144.05 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -80.12 86.74 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 19' ' ' TRP . 42.1 t -95.14 68.71 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 174.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.614 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 17.3 t90 -34.83 145.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.019 -174.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.06 -15.59 22.25 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.974 -8.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.803 HD13 HG22 ' A' ' 4' ' ' THR . 4.8 mm -93.38 155.97 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -170.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -101.66 129.58 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 108.329 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 172.93 6.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -138.83 92.35 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 73.67 22.85 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.644 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.83 37.13 6.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.9 mt -148.3 124.53 5.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.41 0.712 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.73 -32.78 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' THR . 81.1 tt0 -71.93 165.35 24.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.989 HG22 HD13 ' A' ' 21' ' ' ILE . 1.9 p -129.77 151.09 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.2 p -119.96 44.59 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.355 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.488 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.91 -25.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.488 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -91.57 -33.56 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.91 19.2 3.37 Favored Glycine 0 C--N 1.291 -1.944 0 O-C-N 124.301 1.0 . . . . 0.0 111.0 177.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.433 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 89.9 m -131.64 154.86 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 0.717 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -129.53 140.95 51.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.49 -42.38 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -71.49 110.45 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -62.98 147.46 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.38 -11.96 70.64 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -104.24 131.76 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -89.71 144.96 25.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.93 89.07 4.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 108.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -96.04 69.17 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 174.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.62 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.7 t90 -34.57 145.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 108.023 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.62 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.01 -16.17 21.5 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.998 -8.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.989 HD13 HG22 ' A' ' 4' ' ' THR . 9.3 mm -94.05 159.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 -170.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -101.09 125.07 47.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 108.318 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -111.0 162.15 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -129.12 103.3 6.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 62.18 22.38 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.777 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 90.87 40.69 5.51 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 26' ' ' GLY . 26.0 mt -149.65 121.06 4.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.405 0.709 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.14 54.19 3.63 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.6 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.46 -37.06 3.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 4' ' ' THR . 79.6 tt0 -70.03 165.22 22.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.926 HG22 HD13 ' A' ' 21' ' ' ILE . 2.6 p -130.8 150.81 51.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 8' ' ' GLY . 10.2 p -116.02 43.61 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.71 -26.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 6' ' ' THR . 2.1 mt -91.26 -33.45 15.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.379 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 122.53 19.14 3.18 Favored Glycine 0 C--N 1.293 -1.811 0 O-C-N 124.36 1.037 . . . . 0.0 110.931 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.431 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 98.7 m -133.92 156.08 48.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 0.743 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.7 m -129.26 140.7 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.327 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.47 -39.95 13.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -72.07 110.16 6.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.445 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.81 141.29 58.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.67 -14.98 60.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.03 142.6 33.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.85 143.68 28.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.74 90.0 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.541 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -97.56 68.54 2.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.054 174.121 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.617 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 11.3 t90 -34.5 145.04 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.617 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.06 -16.2 21.55 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.991 -8.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.926 HD13 HG22 ' A' ' 4' ' ' THR . 4.3 mm -93.98 160.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 84.8 m -101.53 125.36 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 173.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -111.93 160.02 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -127.14 104.17 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 61.39 26.83 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.689 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 85.71 42.2 6.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.6 mt -149.94 120.15 3.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.552 0.795 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.31 3.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.7 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.85 -32.74 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 4' ' ' THR . 80.7 tt0 -73.65 165.28 25.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 0.805 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.924 HG22 HD13 ' A' ' 21' ' ' ILE . 2.2 p -128.95 151.15 49.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 8' ' ' GLY . 8.9 p -122.37 42.65 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.51 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.83 -26.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -90.81 -33.93 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 121.34 24.2 2.47 Favored Glycine 0 C--N 1.294 -1.764 0 O-C-N 124.753 1.283 . . . . 0.0 110.978 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 24.2 m -137.43 152.04 49.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 0.765 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.6 m -127.32 141.73 51.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -89.62 -43.52 10.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.1 m -70.68 110.58 5.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.34 145.27 55.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.64 -15.19 63.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.84 131.05 50.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.56 144.04 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.79 88.95 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.362 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.44 69.85 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 174.025 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.637 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.5 t90 -34.82 145.69 0.18 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -174.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.637 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.03 -15.86 21.87 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.971 -8.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.924 HD13 HG22 ' A' ' 4' ' ' THR . 32.3 mm -94.47 160.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 21' ' ' ILE . 87.2 m -100.73 127.46 47.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 173.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.79 158.89 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -124.27 104.9 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 62.02 23.72 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.03 42.18 5.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 26' ' ' GLY . 16.8 mt -147.85 121.68 4.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 53.74 3.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.4 -33.49 4.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 4' ' ' THR . 82.5 tt0 -71.48 165.22 24.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 0.815 . . . . 0.0 110.244 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.989 HG22 HD13 ' A' ' 21' ' ' ILE . 2.3 p -131.12 150.75 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 13.0 p -119.74 46.12 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -46.03 -24.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -92.63 -33.71 14.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 123.22 15.44 3.77 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 124.398 1.061 . . . . 0.0 111.021 177.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.439 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 32.4 m -128.64 152.2 48.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.9 m -125.87 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.238 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.66 -42.36 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -71.12 110.01 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.23 139.22 58.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.12 -14.62 57.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 2.0 m -103.22 134.67 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.7 143.06 27.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -78.83 89.18 4.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 19' ' ' TRP . 32.5 t -97.01 70.52 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.631 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.3 t90 -34.64 145.7 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.631 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.0 -15.95 21.72 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -9.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.989 HD13 HG22 ' A' ' 4' ' ' THR . 50.8 mm -94.79 158.31 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -170.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -101.87 129.71 48.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 165.71 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -132.28 99.26 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 67.19 25.83 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.641 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 86.8 40.09 7.3 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 26' ' ' GLY . 21.1 mt -149.51 121.64 4.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.81 3.44 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 29' ' ' VAL . 13.5 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.236 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.36 -35.64 3.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 4' ' ' THR . 78.4 tt0 -70.49 164.82 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.916 HG22 HD13 ' A' ' 21' ' ' ILE . 2.1 p -131.08 150.97 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 8' ' ' GLY . 14.6 p -116.93 47.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.503 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD23 HG22 ' A' ' 6' ' ' THR . 2.0 mt -91.75 -33.8 14.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 124.47 12.06 4.34 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 54.1 m -126.05 157.57 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.3 m -129.08 142.07 51.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -89.54 -39.42 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.6 m -75.29 109.84 9.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.32 142.65 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 -14.03 62.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.429 1.08 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.66 135.03 45.03 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.53 143.39 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -80.2 89.32 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.543 ' O ' ' C ' ' A' ' 19' ' ' TRP . 18.4 t -98.66 71.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 174.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.636 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 13.1 t90 -34.41 145.68 0.16 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -174.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.636 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.93 -16.65 20.82 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.082 -2.466 . . . . 0.0 110.996 -8.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.916 HD13 HG22 ' A' ' 4' ' ' THR . 3.2 mm -95.49 159.53 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -102.26 128.43 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.323 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -115.05 156.03 25.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.45 100.69 6.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.488 ' ND2' ' N ' ' A' ' 25' ' ' ASN . 0.8 OUTLIER 69.69 26.67 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.99 37.62 12.55 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -145.57 122.38 6.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.572 0.807 . . . . 0.0 109.404 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 29' ' ' VAL . 14.5 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.07 -3.49 61.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 4' ' ' THR . 29.1 tt0 -86.11 167.08 15.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 0.721 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.519 HG22 HD13 ' A' ' 21' ' ' ILE . 3.2 p -132.69 150.65 52.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' THR . 16.5 p -138.6 46.82 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -47.88 -27.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.491 HD23 HG22 ' A' ' 6' ' ' THR . 1.8 mt -90.34 -28.76 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' CYS . . . 120.59 9.8 7.5 Favored Glycine 0 C--N 1.289 -2.046 0 O-C-N 124.722 1.264 . . . . 0.0 111.027 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' CYS . 34.1 m -119.26 153.09 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.8 m -125.22 127.62 47.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -88.73 25.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -139.32 109.81 6.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.78 139.66 57.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.246 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.07 -10.79 62.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.08 135.46 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.72 142.81 27.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 t -80.46 87.21 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -95.5 73.58 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 173.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 19.7 t90 -34.23 145.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 -174.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.657 ' HA ' ' CG ' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.96 -16.38 21.17 Favored 'Cis proline' 0 C--N 1.358 1.078 0 C-N-CA 121.097 -2.459 . . . . 0.0 111.007 -8.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.519 HD13 HG22 ' A' ' 4' ' ' THR . 3.5 mm -97.81 165.89 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -170.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.49 ' N ' HG22 ' A' ' 21' ' ' ILE . 64.2 m -100.46 138.46 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 108.242 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.3 157.59 31.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.7 101.12 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 62.82 25.07 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.222 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.772 ' O ' HD23 ' A' ' 27' ' ' LEU . . . 89.4 44.81 4.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 26' ' ' GLY . 23.5 mt -150.61 118.83 3.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.17 3.26 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 29' ' ' VAL . 12.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 stop_ save_