data_2lg5_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 2lg5 _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 ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.8 m -54.64 133.53 46.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.221 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.605 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 2.8 m170 -64.39 75.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 0.0 110.71 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 8' ' ' CYS . 81.1 m-85 -76.0 60.93 1.46 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.99 20.77 69.12 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.52 -155.14 25.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.605 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 0.6 OUTLIER 173.87 165.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.269 0 C-N-CA 122.278 0.231 . . . . 0.0 110.656 179.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.78 -42.42 11.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.936 2.424 . . . . 0.0 111.861 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 p -166.45 -157.46 0.28 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.617 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -78.2 50.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 110.779 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.565 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 60.6 mt -67.27 142.05 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.115 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 33' ' ' PRO . 44.9 pt -72.59 137.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.072 0.463 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -70.78 135.14 47.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -146.93 34.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.17 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.19 -160.16 29.6 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.327 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 t -174.91 144.85 0.8 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.212 0.53 . . . . 0.0 110.626 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.5 m -94.32 -140.57 0.23 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.378 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -59.41 145.29 44.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.42 -125.65 34.82 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -110.8 35.56 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.099 0.476 . . . . 0.0 111.405 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.528 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 42.1 mmt180 -77.15 60.1 1.85 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.9 m -42.24 120.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.827 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.0 m -71.18 122.16 19.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.565 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 14.2 p -101.59 143.79 31.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.122 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 32' ' ' TRP . 5.7 ttmt -151.63 152.95 33.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.934 0.397 . . . . 0.0 110.043 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.438 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 39.8 m95 -59.5 136.14 89.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.155 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 32.9 Cg_exo -58.37 -41.88 61.4 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.404 2.069 . . . . 0.0 111.889 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.686 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.032 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' PHE . 12.8 m -61.59 131.21 49.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.584 ' HD2' ' SG ' ' A' ' 30' ' ' CYS . 1.3 m170 -58.26 76.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' CYS . 3.4 m-30 -74.7 72.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -28.47 4.27 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' CD2' ' A' ' 9' ' ' HIS . . . -165.88 -123.87 0.68 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.887 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 t -163.01 156.18 16.66 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.887 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 45.6 Cg_exo -54.29 -35.81 84.69 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.197 2.598 . . . . 0.0 111.959 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -150.5 43.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.033 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.9 m170 47.67 46.22 18.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.565 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 16.3 mt -64.29 149.79 47.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.028 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.1 pt -68.81 142.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' CD ' ' HB3' ' A' ' 28' ' ' SER . 85.4 tttt -64.88 99.63 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.045 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.64 ' CG2' ' HB3' ' A' ' 31' ' ' LYS . 54.7 t -89.46 -5.17 10.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.22 -153.34 10.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.059 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.455 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 1.5 m -145.21 135.4 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 111.325 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 t -103.15 -37.32 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.199 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -167.42 159.82 12.75 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -40.64 -48.14 3.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.469 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -105.19 40.12 1.59 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.071 0.462 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.493 HH11 ' HG2' ' A' ' 27' ' ' ARG . 43.8 mtt-85 -158.1 58.07 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.499 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 34.1 m -61.5 122.64 15.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 82.2 m -68.08 120.33 14.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 110.647 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.584 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 10.3 p -109.53 141.27 42.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.952 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.64 ' HB3' ' CG2' ' A' ' 20' ' ' VAL . 17.3 tppt? -142.28 155.12 45.2 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -50.26 138.23 20.68 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.04 -22.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.803 2.335 . . . . 0.0 112.155 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.57 ' N ' ' CE3' ' A' ' 34' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.677 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 C--O 1.235 0.32 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.54 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 9.4 m -93.05 151.66 19.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.71 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 m-70 -70.2 63.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 56.0 m-85 -70.48 68.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 -45.56 3.45 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.649 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -124.08 -135.45 4.47 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.71 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 2.5 m 170.48 152.91 0.18 Allowed Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.607 0.363 . . . . 0.0 110.637 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -43.99 -32.57 4.7 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.246 2.631 . . . . 0.0 112.882 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' LEU . 41.7 t -175.46 49.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.415 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 63.25 -70.62 0.06 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.073 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 15' ' ' SER . 12.3 mt 66.92 -134.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.453 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.44 139.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' NZ ' ' OG ' ' A' ' 22' ' ' SER . 66.4 tttp -61.74 79.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.401 0.62 . . . . 0.0 111.548 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.534 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 29.4 m -77.25 42.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.946 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 19' ' ' LYS . . . 107.23 -142.24 15.72 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.92 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.539 ' C ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 m -161.61 141.14 10.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.064 0.459 . . . . 0.0 111.207 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.439 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 37.6 m -84.99 -142.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.932 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.3 131.43 46.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.8 -157.66 53.18 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -80.97 15.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.15 0.475 . . . . 0.0 111.402 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -64.74 83.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 27.5 m -49.16 124.9 9.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.871 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' ' C ' ' A' ' 22' ' ' SER . 73.8 m -72.36 124.81 25.9 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.681 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 10.6 p -114.32 113.8 25.06 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.766 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB2' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -126.13 146.84 49.78 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.136 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.594 ' C ' ' H ' ' A' ' 34' ' ' TRP . 89.8 m95 -40.94 134.07 1.75 Allowed Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.451 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 32' ' ' TRP . 19.6 Cg_exo -63.54 20.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.387 2.058 . . . . 0.0 112.401 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.594 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 74.6 m -54.77 129.66 37.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.173 0.511 . . . . 0.0 110.513 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.608 ' HD2' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.64 85.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.939 -177.633 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -78.9 54.55 1.58 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.04 42.93 50.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.333 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.5 -143.78 14.34 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.892 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 2.6 t -175.87 156.96 1.73 Allowed Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.892 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 83.3 Cg_exo -45.24 -35.15 10.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.954 2.436 . . . . 0.0 112.315 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 p -165.67 54.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.231 0.539 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 47.99 46.99 19.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.263 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.665 ' HG ' ' SG ' ' A' ' 13' ' ' CYS . 10.8 mt -61.74 146.41 49.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.738 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.83 134.59 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.591 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 2.3 ttpm? -67.07 123.07 19.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.191 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.66 35.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.252 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.07 -159.74 30.25 Favored Glycine 0 CA--C 1.513 -0.051 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.697 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 7.2 p -178.24 135.38 0.16 Allowed 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 2.8 m -99.59 155.17 17.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.427 -1.261 . . . . 0.0 107.623 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -48.54 144.72 4.01 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.85 42.07 7.37 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.826 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 47.61 30.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 37.3 mmt180 -80.01 59.01 3.1 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 4.0 m -47.27 117.23 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.213 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' N ' ' A' ' 22' ' ' SER . 21.7 m -69.97 139.74 52.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.608 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 7.5 p -133.75 145.89 50.24 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.26 0.35 . . . . 0.0 111.094 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 2.2 tmmt? -143.39 143.85 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.307 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -49.81 135.99 19.85 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.782 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 53.1 Cg_exo -53.96 -51.09 11.51 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.029 1.819 . . . . 0.0 111.49 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.415 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 4.0 m-90 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.813 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 3.2 m -54.1 133.55 43.95 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.092 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.911 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -70.75 55.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.684 -179.222 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.536 ' CD2' ' HB2' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -80.43 40.92 0.52 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.322 0.582 . . . . 0.0 110.162 178.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 148.57 -46.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.419 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.539 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -176.11 -137.94 2.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.266 -0.492 . . . . 0.0 111.923 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m 174.45 137.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 77.4 Cg_exo -49.75 133.28 32.88 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.72 2.28 . . . . 0.0 112.919 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.9 m 54.89 -130.52 2.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 13.2 t-160 -121.27 58.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.968 0.413 . . . . 0.0 110.562 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 22.3 mt -54.76 127.03 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LYS . 47.1 mm -72.36 128.15 35.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' A' ' 28' ' ' SER . 26.7 ttpp -58.61 113.63 2.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.52 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 16.8 t -74.41 -43.38 49.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.741 0.781 . . . . 0.0 109.09 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.84 -146.93 7.14 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -94.93 -146.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.653 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 37.9 t -177.84 -69.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -178.85 141.75 0.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.4 37.53 93.32 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.226 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 58.65 38.82 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.102 -0.549 . . . . 0.0 111.355 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.405 ' HD3' ' HB3' ' A' ' 10' ' ' PHE . 4.9 mtt180 -100.01 119.61 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.357 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.419 ' HB2' ' HG3' ' A' ' 19' ' ' LYS . 13.3 p -82.59 123.63 29.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 8.7 m -78.47 104.19 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.911 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -85.81 151.71 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.637 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.52 ' HB2' ' CG2' ' A' ' 20' ' ' VAL . 36.8 ttmt -139.41 150.19 44.97 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -58.81 134.4 86.76 Favored Pre-proline 0 C--N 1.315 -0.894 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.631 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 51.6 Cg_exo -53.73 -45.09 43.57 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.04 1.827 . . . . 0.0 111.142 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.768 179.792 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' CYS . 9.4 p . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 98.1 m -47.96 131.6 15.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.445 0.641 . . . . 0.0 111.761 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.975 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -59.54 75.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.354 -178.458 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.51 ' CE1' ' HD3' ' A' ' 27' ' ' ARG . 4.0 m-30 -73.79 43.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.869 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 55.03 35.06 58.73 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.391 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.73 37.82 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.064 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.761 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 64.5 m -87.42 132.02 42.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 122.53 -0.394 . . . . 0.0 110.301 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.417 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.2 Cg_exo -56.15 139.76 86.08 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.39 2.06 . . . . 0.0 111.94 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.6 t 49.49 -137.95 0.97 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.011 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.418 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.5 p80 -125.97 46.33 2.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 16.2 mt -36.4 138.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.064 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 pt -53.64 130.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.212 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 5.7 ttpm? -73.12 72.89 1.21 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.041 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.3 m -76.63 47.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -158.38 15.78 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 13.6 p -177.34 138.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.194 0.497 . . . . 0.0 111.672 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.32 -39.65 93.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.456 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -173.99 56.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.813 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 26' ' ' PHE . . . 86.33 -119.32 5.11 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 25' ' ' GLY . 23.9 t80 -23.88 -50.68 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.846 0.458 . . . . 0.0 111.809 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.58 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 92.7 mtt180 -73.84 60.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.393 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.546 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 2.3 p -57.93 127.97 34.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.956 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 22' ' ' SER . 82.9 m -61.35 95.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.401 0.62 . . . . 0.0 110.017 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.975 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 2.2 m -77.01 134.22 38.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.466 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -153.41 145.42 23.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 36.8 m95 -64.14 135.9 96.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -44.83 -53.96 4.65 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.335 2.024 . . . . 0.0 111.654 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.4 0.619 . . . . 0.0 111.336 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.956 0.408 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.572 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 11.1 m -74.51 146.57 42.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.861 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 4.9 m170 -58.36 70.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' CYS . 7.4 m-85 -86.21 37.2 0.71 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 58.61 42.07 95.96 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.849 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.36 51.13 0.1 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.625 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 3.9 m -75.77 140.64 71.22 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.774 0.321 . . . . 0.0 110.69 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -38.75 -41.84 1.76 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.411 2.741 . . . . 0.0 113.232 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 17' ' ' LEU . 19.7 t -169.61 -153.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.48 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.7 p80 -73.43 42.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 111.281 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 30' ' ' CYS . 65.4 mt -61.26 137.07 58.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.944 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.0 pt -66.09 139.64 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 5.2 ttpm? -75.96 95.1 3.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 0.0 110.135 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.85 -31.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.533 0.682 . . . . 0.0 110.042 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -179.88 -137.67 3.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.447 ' HG ' ' C ' ' A' ' 21' ' ' GLY . 41.7 m -160.03 142.76 13.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.89 0.845 . . . . 0.0 111.782 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 22.4 m -96.81 -163.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.473 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 29.3 m-85 -65.94 134.01 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.702 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.98 44.49 7.63 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.15 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 54.7 t80 51.33 22.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.261 0.553 . . . . 0.0 111.274 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 41.0 mmt180 -72.47 76.18 1.05 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.508 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 45.0 m -46.35 122.25 3.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 64.7 m -65.7 127.62 32.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.861 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 31.9 m -101.49 134.68 44.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -149.36 147.52 28.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.52 ' C ' ' H ' ' A' ' 34' ' ' TRP . 39.4 m95 -65.43 141.57 98.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.645 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -69.57 34.11 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.895 2.397 . . . . 0.0 112.19 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.52 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 16.4 m . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.7 m -53.47 142.56 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.032 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.949 ' CD2' ' SG ' ' A' ' 13' ' ' CYS . 19.9 m170 -63.34 80.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.481 ' C ' ' H ' ' A' ' 12' ' ' GLY . 12.4 m-30 -62.41 68.42 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.541 0.337 . . . . 0.0 110.707 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' HIS . . . 74.95 -44.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 10' ' ' PHE . . . -167.08 101.87 0.18 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.949 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 78.4 m -46.71 148.86 1.63 Allowed Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.518 0.199 . . . . 0.0 110.603 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -34.05 -31.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.653 2.902 . . . . 0.0 113.614 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' CYS . 30.9 t -163.19 51.79 0.17 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 12.8 t-160 43.99 47.46 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.435 0.636 . . . . 0.0 109.483 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' HB3' ' C ' ' A' ' 31' ' ' LYS . 12.9 mt -55.04 142.64 29.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.017 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.1 pt -49.01 127.78 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 35.1 ttpt -69.79 137.56 51.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.748 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 m -145.92 52.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.291 0.567 . . . . 0.0 110.621 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.26 -158.41 22.05 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 39.5 t -169.5 143.84 2.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.692 0.758 . . . . 0.0 111.753 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -95.26 -52.88 3.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.49 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CE1' ' HD2' ' A' ' 27' ' ' ARG . 5.9 p90 175.62 144.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.814 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.65 -142.63 44.15 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -80.79 0.71 33.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.537 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 54.1 mtt-85 -75.38 52.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.994 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -59.12 140.42 55.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 22' ' ' SER . 73.6 m -62.69 142.47 58.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.64 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 31.7 p -153.39 156.39 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.108 0.48 . . . . 0.0 111.798 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.537 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -163.13 144.6 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.082 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' HB3' ' NE1' ' A' ' 34' ' ' TRP . 48.1 m95 -49.56 141.14 13.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.673 0.273 . . . . 0.0 110.628 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.48 -47.5 24.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.187 1.924 . . . . 0.0 111.554 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.425 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.956 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 63.7 m -135.66 142.07 45.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.024 -0.423 . . . . 0.0 110.668 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.821 ' CG ' ' SG ' ' A' ' 13' ' ' CYS . 8.5 m-70 -62.68 68.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.628 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.604 ' CD1' ' HD3' ' A' ' 27' ' ' ARG . 5.3 m-85 -80.72 43.58 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 73.68 34.55 56.48 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.395 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.15 68.48 0.01 OUTLIER Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.288 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.821 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 62.5 m -57.15 138.45 80.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 117.502 0.651 . . . . 0.0 110.007 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -35.4 -34.42 0.11 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.682 2.921 . . . . 0.0 113.812 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -171.16 -148.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 13.3 t-160 -74.31 55.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.479 . . . . 0.0 110.479 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.586 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 18.9 mt -74.96 129.8 38.27 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.5 pt -73.87 137.09 23.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.661 0.267 . . . . 0.0 110.39 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 3.8 ttpm? -69.62 91.24 0.59 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.72 HG12 ' SG ' ' A' ' 29' ' ' CYS . 9.9 p -73.98 -21.49 18.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.823 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.638 ' N ' ' SG ' ' A' ' 29' ' ' CYS . . . 175.74 -140.02 4.95 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.91 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 m -125.41 141.17 52.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.174 0.511 . . . . 0.0 111.02 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.1 t -100.0 -42.85 6.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.18 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -165.05 62.93 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.382 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.28 -121.69 9.2 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.749 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -37.6 -46.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.739 0.304 . . . . 0.0 111.19 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.604 ' HD3' ' CD1' ' A' ' 10' ' ' PHE . 30.3 mtt-85 -67.26 81.94 0.14 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.303 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.411 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . 19.7 m -60.12 132.05 52.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.72 ' SG ' HG12 ' A' ' 20' ' ' VAL . 15.4 p -68.75 124.06 22.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.586 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 31.1 p -128.8 139.02 52.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.492 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -148.34 150.33 33.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.009 178.376 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.443 ' N ' HD21 ' A' ' 17' ' ' LEU . 27.5 m95 -48.27 132.54 12.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.339 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 42.2 Cg_exo -55.69 -39.99 87.87 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.057 1.838 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 6.4 m-90 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.447 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.559 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 17.5 t . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.189 0.518 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.635 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 56.7 m -79.96 54.71 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.586 0.708 . . . . 0.0 110.524 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.659 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 3.3 m170 36.67 53.14 1.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.969 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -81.31 30.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 151.08 -140.19 7.71 Favored Glycine 0 N--CA 1.441 -1.008 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.183 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.42 1.76 88.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.267 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.659 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 1.3 m 63.12 160.44 0.12 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -36.3 -38.05 0.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.523 2.815 . . . . 0.0 113.771 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 t -167.63 60.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.356 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.0 m170 49.19 39.56 15.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.215 0.531 . . . . 0.0 110.276 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 19.4 mt -56.25 136.93 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.724 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.0 138.23 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.859 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.75 97.82 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 p -74.39 -26.84 20.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 109.765 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.09 -139.66 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.26 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.6 m -156.23 141.29 17.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.265 0.532 . . . . 0.0 111.041 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 60.1 m -90.82 -133.07 0.11 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.265 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' PHE . 32.3 m-85 -84.77 162.72 19.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 112.757 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.18 -74.12 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.234 -1.348 . . . . 0.0 114.017 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -169.15 25.98 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.554 . . . . 0.0 110.215 -179.065 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.635 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 37.4 mmt180 -79.05 132.35 36.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.289 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.417 ' HB3' ' ND1' ' A' ' 9' ' ' HIS . 2.0 t -90.38 117.38 29.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.723 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' VAL . 19.9 t -73.58 116.57 14.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.656 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 15.7 p -102.89 147.06 27.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.127 0.489 . . . . 0.0 112.094 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 32.3 mmtp -142.71 141.97 31.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.107 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -51.72 129.03 36.1 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.562 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.7 -39.48 38.19 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.777 2.318 . . . . 0.0 111.743 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.364 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 5' ' ' GLY . 4.1 tt . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -89.99 -84.37 0.23 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.651 ' CB ' ' SG ' ' A' ' 23' ' ' CYS . 7.7 p -59.35 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.028 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -73.82 52.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.005 0.431 . . . . 0.0 110.479 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.428 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . 168.95 -41.28 0.22 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.606 ' O ' ' SG ' ' A' ' 3' ' ' CYS . . . 166.48 -120.73 0.94 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t -104.15 120.83 41.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.8 m -54.64 133.53 46.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.221 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.605 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 2.8 m170 -64.39 75.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 0.0 110.71 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 8' ' ' CYS . 81.1 m-85 -76.0 60.93 1.46 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.99 20.77 69.12 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.52 -155.14 25.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 0.6 OUTLIER 173.87 165.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.269 0 C-N-CA 122.278 0.231 . . . . 0.0 110.656 179.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.78 -42.42 11.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.936 2.424 . . . . 0.0 111.861 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 p -166.45 -157.46 0.28 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.617 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -78.2 50.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 110.779 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.565 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 60.6 mt -67.27 142.05 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.115 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 33' ' ' PRO . 44.9 pt -72.59 137.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.072 0.463 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -70.78 135.14 47.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 5' ' ' GLY . 34.1 m -146.93 34.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.17 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.19 -160.16 29.6 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.327 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 t -174.91 144.85 0.8 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.212 0.53 . . . . 0.0 110.626 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.651 ' SG ' ' CB ' ' A' ' 3' ' ' CYS . 80.5 m -94.32 -140.57 0.23 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.378 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -59.41 145.29 44.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.42 -125.65 34.82 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -110.8 35.56 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.099 0.476 . . . . 0.0 111.405 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.528 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 42.1 mmt180 -77.15 60.1 1.85 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.9 m -42.24 120.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.827 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 6' ' ' GLY . 98.0 m -71.18 122.16 19.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.565 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 14.2 p -101.59 143.79 31.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.122 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 32' ' ' TRP . 5.7 ttmt -151.63 152.95 33.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.934 0.397 . . . . 0.0 110.043 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.438 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 39.8 m95 -59.5 136.14 89.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.155 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 32.9 Cg_exo -58.37 -41.88 61.4 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.404 2.069 . . . . 0.0 111.889 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -78.1 46.09 0.58 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.032 -179.714 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -154.14 43.76 0.55 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.581 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.819 179.529 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.894 0.378 . . . . 0.0 111.034 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.452 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 2.8 m-85 -57.59 155.6 9.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.437 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 2' ' ' PHE . 22.4 p 45.21 35.3 1.68 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.537 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 41.75 37.31 0.73 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.331 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.526 ' N ' ' CD2' ' A' ' 1' ' ' LEU . . . -155.16 -53.94 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.278 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 29' ' ' CYS . . . 142.77 -140.34 9.74 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.054 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m -68.69 118.77 12.11 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' PHE . 12.8 m -61.59 131.21 49.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.584 ' HD2' ' SG ' ' A' ' 30' ' ' CYS . 1.3 m170 -58.26 76.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' CYS . 3.4 m-30 -74.7 72.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -28.47 4.27 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' CD2' ' A' ' 9' ' ' HIS . . . -165.88 -123.87 0.68 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.887 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 t -163.01 156.18 16.66 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.887 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 45.6 Cg_exo -54.29 -35.81 84.69 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.197 2.598 . . . . 0.0 111.959 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -150.5 43.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.033 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.9 m170 47.67 46.22 18.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.565 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 16.3 mt -64.29 149.79 47.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.028 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.1 pt -68.81 142.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' CD ' ' HB3' ' A' ' 28' ' ' SER . 85.4 tttt -64.88 99.63 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.045 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.64 ' CG2' ' HB3' ' A' ' 31' ' ' LYS . 54.7 t -89.46 -5.17 10.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.22 -153.34 10.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.059 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.455 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 1.5 m -145.21 135.4 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 111.325 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 t -103.15 -37.32 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.199 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -167.42 159.82 12.75 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -40.64 -48.14 3.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.469 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -105.19 40.12 1.59 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.071 0.462 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.493 HH11 ' HG2' ' A' ' 27' ' ' ARG . 43.8 mtt-85 -158.1 58.07 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.499 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 34.1 m -61.5 122.64 15.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 82.2 m -68.08 120.33 14.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 110.647 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.584 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 10.3 p -109.53 141.27 42.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.952 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.64 ' HB3' ' CG2' ' A' ' 20' ' ' VAL . 17.3 tppt? -142.28 155.12 45.2 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -50.26 138.23 20.68 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.04 -22.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.803 2.335 . . . . 0.0 112.155 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.57 ' N ' ' CE3' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -48.77 -44.82 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.677 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -66.67 -45.54 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.526 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.302 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 31' ' ' LYS . 13.0 mt . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.57 ' C ' ' H ' ' A' ' 4' ' ' LYS . 1.2 m-85 -75.4 54.32 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.547 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 47.8 t 70.39 -32.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.748 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.57 ' H ' ' C ' ' A' ' 2' ' ' PHE . 36.3 ttpt -67.76 154.02 42.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.691 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.2 46.88 5.98 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.971 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.469 ' HA3' ' HE2' ' A' ' 31' ' ' LYS . . . 173.48 -128.71 1.54 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.543 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.6 t -151.92 163.56 38.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.54 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 9.4 m -93.05 151.66 19.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.71 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 m-70 -70.2 63.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 56.0 m-85 -70.48 68.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 -45.56 3.45 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.649 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -124.08 -135.45 4.47 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.71 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 2.5 m 170.48 152.91 0.18 Allowed Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.607 0.363 . . . . 0.0 110.637 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -43.99 -32.57 4.7 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.246 2.631 . . . . 0.0 112.882 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' LEU . 41.7 t -175.46 49.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.415 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 63.25 -70.62 0.06 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.073 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 15' ' ' SER . 12.3 mt 66.92 -134.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.453 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.44 139.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' NZ ' ' OG ' ' A' ' 22' ' ' SER . 66.4 tttp -61.74 79.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.401 0.62 . . . . 0.0 111.548 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.534 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 29.4 m -77.25 42.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.946 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 19' ' ' LYS . . . 107.23 -142.24 15.72 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.92 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.539 ' C ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 m -161.61 141.14 10.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.064 0.459 . . . . 0.0 111.207 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.439 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 37.6 m -84.99 -142.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.932 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.3 131.43 46.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.8 -157.66 53.18 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -80.97 15.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.15 0.475 . . . . 0.0 111.402 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -64.74 83.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 27.5 m -49.16 124.9 9.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.871 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' ' C ' ' A' ' 22' ' ' SER . 73.8 m -72.36 124.81 25.9 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.681 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 10.6 p -114.32 113.8 25.06 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.766 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -126.13 146.84 49.78 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.136 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.594 ' C ' ' H ' ' A' ' 34' ' ' TRP . 89.8 m95 -40.94 134.07 1.75 Allowed Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.451 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.547 ' C ' ' H ' ' A' ' 35' ' ' ASN . 19.6 Cg_exo -63.54 20.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.387 2.058 . . . . 0.0 112.401 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.594 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -77.45 40.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.723 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 33' ' ' PRO . 21.5 t-20 -171.61 113.97 0.36 Allowed 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.31 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.111 -178.407 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.543 ' HB3' ' N ' ' A' ' 6' ' ' GLY . 3.9 mm? . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.828 0.347 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.31 -99.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.669 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 6' ' ' GLY . 1.7 t -37.87 109.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.528 -178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 20' ' ' VAL . 26.2 ttpp 34.64 42.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.213 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.445 ' C ' ' HB2' ' A' ' 1' ' ' LEU . . . 71.47 41.89 57.15 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.252 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.543 ' N ' ' HB3' ' A' ' 1' ' ' LEU . . . -166.64 134.55 3.32 Favored Glycine 0 C--O 1.224 -0.484 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 p -76.27 124.32 27.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 117.129 0.464 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 74.6 m -54.77 129.66 37.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.173 0.511 . . . . 0.0 110.513 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.608 ' HD2' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.64 85.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.939 -177.633 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -78.9 54.55 1.58 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.04 42.93 50.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.333 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.5 -143.78 14.34 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.892 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 2.6 t -175.87 156.96 1.73 Allowed Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.892 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 83.3 Cg_exo -45.24 -35.15 10.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.954 2.436 . . . . 0.0 112.315 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 p -165.67 54.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.231 0.539 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 47.99 46.99 19.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.263 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.665 ' HG ' ' SG ' ' A' ' 13' ' ' CYS . 10.8 mt -61.74 146.41 49.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.738 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.83 134.59 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.591 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 2.3 ttpm? -67.07 123.07 19.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.191 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.519 ' O ' ' NZ ' ' A' ' 4' ' ' LYS . 34.6 m -131.66 35.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.252 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.07 -159.74 30.25 Favored Glycine 0 CA--C 1.513 -0.051 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.697 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 7.2 p -178.24 135.38 0.16 Allowed 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 2.8 m -99.59 155.17 17.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.427 -1.261 . . . . 0.0 107.623 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -48.54 144.72 4.01 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.85 42.07 7.37 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.826 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 47.61 30.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 37.3 mmt180 -80.01 59.01 3.1 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 4.0 m -47.27 117.23 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.213 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' N ' ' A' ' 22' ' ' SER . 21.7 m -69.97 139.74 52.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.608 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 7.5 p -133.75 145.89 50.24 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.26 0.35 . . . . 0.0 111.094 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 2.2 tmmt? -143.39 143.85 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.307 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -49.81 135.99 19.85 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.782 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 53.1 Cg_exo -53.96 -51.09 11.51 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.029 1.819 . . . . 0.0 111.49 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.415 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 4.0 m-90 -82.42 -53.62 5.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.813 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 53.13 45.67 28.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.634 0.731 . . . . 0.0 109.119 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.858 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.076 -179.19 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.466 ' HG ' ' HA2' ' A' ' 6' ' ' GLY . 5.3 mp . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 6' ' ' GLY . 25.7 t80 -175.52 -52.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.258 0.551 . . . . 0.0 110.869 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 p -81.18 -134.31 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.748 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.62 73.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.978 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.8 35.63 91.57 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.818 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 2' ' ' PHE . . . 178.35 -153.3 12.62 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -135.67 120.9 18.99 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 3.2 m -54.1 133.55 43.95 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.092 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.911 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -70.75 55.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.684 -179.222 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.536 ' CD2' ' HB2' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -80.43 40.92 0.52 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.322 0.582 . . . . 0.0 110.162 178.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 148.57 -46.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.419 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.539 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -176.11 -137.94 2.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.266 -0.492 . . . . 0.0 111.923 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m 174.45 137.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 77.4 Cg_exo -49.75 133.28 32.88 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.72 2.28 . . . . 0.0 112.919 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.9 m 54.89 -130.52 2.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 13.2 t-160 -121.27 58.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.968 0.413 . . . . 0.0 110.562 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 22.3 mt -54.76 127.03 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LYS . 47.1 mm -72.36 128.15 35.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' A' ' 28' ' ' SER . 26.7 ttpp -58.61 113.63 2.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.52 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 16.8 t -74.41 -43.38 49.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.741 0.781 . . . . 0.0 109.09 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.84 -146.93 7.14 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -94.93 -146.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.653 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 37.9 t -177.84 -69.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -178.85 141.75 0.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.4 37.53 93.32 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.226 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 58.65 38.82 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.102 -0.549 . . . . 0.0 111.355 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.405 ' HD3' ' HB3' ' A' ' 10' ' ' PHE . 4.9 mtt180 -100.01 119.61 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.357 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.419 ' HB2' ' HG3' ' A' ' 19' ' ' LYS . 13.3 p -82.59 123.63 29.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 8.7 m -78.47 104.19 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.911 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -85.81 151.71 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.637 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.52 ' HB2' ' CG2' ' A' ' 20' ' ' VAL . 36.8 ttmt -139.41 150.19 44.97 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -58.81 134.4 86.76 Favored Pre-proline 0 C--N 1.315 -0.894 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.631 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 51.6 Cg_exo -53.73 -45.09 43.57 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.04 1.827 . . . . 0.0 111.142 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -81.83 40.24 0.59 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.768 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -74.74 48.32 0.36 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.578 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.725 179.431 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.521 HD21 ' N ' ' A' ' 1' ' ' LEU . 3.0 mm? . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.8 66.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.011 0.434 . . . . 0.0 111.601 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.708 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 3.3 t 163.59 35.5 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.825 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 3' ' ' CYS . 38.9 ttmt 37.99 38.47 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.322 0.582 . . . . 0.0 109.768 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' O ' ' HD3' ' A' ' 31' ' ' LYS . . . 173.81 -47.63 0.15 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.272 -0.966 . . . . 0.0 113.579 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.579 ' O ' ' HB3' ' A' ' 3' ' ' CYS . . . -161.18 134.38 3.53 Favored Glycine 0 C--O 1.224 -0.501 0 C-N-CA 119.809 -1.186 . . . . 0.0 113.733 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' CYS . 9.4 p -52.77 109.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 98.1 m -47.96 131.6 15.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.445 0.641 . . . . 0.0 111.761 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.975 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -59.54 75.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.354 -178.458 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.51 ' CE1' ' HD3' ' A' ' 27' ' ' ARG . 4.0 m-30 -73.79 43.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.869 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 55.03 35.06 58.73 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.391 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.73 37.82 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.064 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.761 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 64.5 m -87.42 132.02 42.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 122.53 -0.394 . . . . 0.0 110.301 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.2 Cg_exo -56.15 139.76 86.08 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.39 2.06 . . . . 0.0 111.94 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.6 t 49.49 -137.95 0.97 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.011 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.418 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.5 p80 -125.97 46.33 2.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 16.2 mt -36.4 138.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.064 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 pt -53.64 130.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.212 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 5.7 ttpm? -73.12 72.89 1.21 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.041 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 5' ' ' GLY . 15.3 m -76.63 47.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -158.38 15.78 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 13.6 p -177.34 138.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.194 0.497 . . . . 0.0 111.672 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.32 -39.65 93.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.456 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -173.99 56.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.813 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 26' ' ' PHE . . . 86.33 -119.32 5.11 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 25' ' ' GLY . 23.9 t80 -23.88 -50.68 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.846 0.458 . . . . 0.0 111.809 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.58 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 92.7 mtt180 -73.84 60.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.393 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.546 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 2.3 p -57.93 127.97 34.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.956 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 22' ' ' SER . 82.9 m -61.35 95.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.401 0.62 . . . . 0.0 110.017 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.975 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 2.2 m -77.01 134.22 38.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.466 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.506 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 38.0 ttpt -153.41 145.42 23.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 36.8 m95 -64.14 135.9 96.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -44.83 -53.96 4.65 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.335 2.024 . . . . 0.0 111.654 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -100.35 40.37 1.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.4 0.619 . . . . 0.0 111.336 179.421 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' ND2' ' HD2' ' A' ' 31' ' ' LYS . 28.6 t30 -61.62 -33.51 74.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.414 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.411 -179.317 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.537 ' CD2' ' H2 ' ' A' ' 1' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.757 0.313 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -161.83 35.0 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.348 0.594 . . . . 0.0 110.546 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.775 ' SG ' ' N ' ' A' ' 22' ' ' SER . 10.7 t 68.7 -170.93 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.839 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 38.9 ttpt 38.94 48.96 1.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.499 0.666 . . . . 0.0 109.999 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.05 49.36 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.525 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 175.82 -162.66 31.91 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.16 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 m -76.08 101.48 5.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.956 0.408 . . . . 0.0 111.224 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.572 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 11.1 m -74.51 146.57 42.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.861 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 4.9 m170 -58.36 70.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' CYS . 7.4 m-85 -86.21 37.2 0.71 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 58.61 42.07 95.96 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.849 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.36 51.13 0.1 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.625 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 3.9 m -75.77 140.64 71.22 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.774 0.321 . . . . 0.0 110.69 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -38.75 -41.84 1.76 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.411 2.741 . . . . 0.0 113.232 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 17' ' ' LEU . 19.7 t -169.61 -153.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.48 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.7 p80 -73.43 42.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 111.281 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 30' ' ' CYS . 65.4 mt -61.26 137.07 58.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.944 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.0 pt -66.09 139.64 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 5.2 ttpm? -75.96 95.1 3.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 0.0 110.135 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.85 -31.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.533 0.682 . . . . 0.0 110.042 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -179.88 -137.67 3.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.775 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 41.7 m -160.03 142.76 13.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.89 0.845 . . . . 0.0 111.782 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 22.4 m -96.81 -163.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.473 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 29.3 m-85 -65.94 134.01 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.702 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.98 44.49 7.63 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.15 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 54.7 t80 51.33 22.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.261 0.553 . . . . 0.0 111.274 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 41.0 mmt180 -72.47 76.18 1.05 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.508 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 45.0 m -46.35 122.25 3.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 64.7 m -65.7 127.62 32.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.861 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 31.9 m -101.49 134.68 44.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -149.36 147.52 28.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.52 ' C ' ' H ' ' A' ' 34' ' ' TRP . 39.4 m95 -65.43 141.57 98.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.645 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -69.57 34.11 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.895 2.397 . . . . 0.0 112.19 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.52 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -161.01 25.49 0.14 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.517 ' ND2' ' HB2' ' A' ' 32' ' ' TRP . 5.3 m120 -81.39 49.92 1.37 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.71 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.498 ' CD1' ' HB3' ' A' ' 31' ' ' LYS . 1.9 mm? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -60.35 -54.21 48.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.377 0.608 . . . . 0.0 110.201 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -72.0 145.72 48.16 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.903 178.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -63.7 71.81 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.267 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 3' ' ' CYS . . . 152.14 -53.83 0.47 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 29' ' ' CYS . . . -168.43 141.71 6.96 Favored Glycine 0 C--O 1.223 -0.561 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.418 ' H ' HD13 ' A' ' 1' ' ' LEU . 16.4 m -51.29 137.04 23.73 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 117.021 0.411 . . . . 0.0 110.639 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.7 m -53.47 142.56 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.032 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.949 ' CD2' ' SG ' ' A' ' 13' ' ' CYS . 19.9 m170 -63.34 80.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' C ' ' H ' ' A' ' 12' ' ' GLY . 12.4 m-30 -62.41 68.42 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.541 0.337 . . . . 0.0 110.707 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' HIS . . . 74.95 -44.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 10' ' ' PHE . . . -167.08 101.87 0.18 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.949 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 78.4 m -46.71 148.86 1.63 Allowed Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.518 0.199 . . . . 0.0 110.603 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -34.05 -31.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.653 2.902 . . . . 0.0 113.614 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' CYS . 30.9 t -163.19 51.79 0.17 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 12.8 t-160 43.99 47.46 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.435 0.636 . . . . 0.0 109.483 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' HB3' ' C ' ' A' ' 31' ' ' LYS . 12.9 mt -55.04 142.64 29.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.017 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.1 pt -49.01 127.78 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 35.1 ttpt -69.79 137.56 51.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.748 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 m -145.92 52.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.291 0.567 . . . . 0.0 110.621 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.26 -158.41 22.05 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 39.5 t -169.5 143.84 2.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.692 0.758 . . . . 0.0 111.753 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -95.26 -52.88 3.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.49 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CE1' ' HD2' ' A' ' 27' ' ' ARG . 5.9 p90 175.62 144.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.814 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.65 -142.63 44.15 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -80.79 0.71 33.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.537 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 54.1 mtt-85 -75.38 52.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.994 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -59.12 140.42 55.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 6' ' ' GLY . 73.6 m -62.69 142.47 58.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.64 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 31.7 p -153.39 156.39 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.108 0.48 . . . . 0.0 111.798 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.537 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -163.13 144.6 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.082 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.425 ' HB3' ' NE1' ' A' ' 34' ' ' TRP . 48.1 m95 -49.56 141.14 13.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.673 0.273 . . . . 0.0 110.628 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.48 -47.5 24.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.187 1.924 . . . . 0.0 111.554 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.425 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -76.86 -10.53 59.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.956 179.601 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t30 56.2 59.61 3.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.236 0.541 . . . . 0.0 110.748 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.819 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.74 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.4 tm? . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 121.095 0.474 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -57.92 -23.94 55.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.937 0.875 . . . . 0.0 108.933 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.2 m -55.36 -27.83 49.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.815 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' N ' ' CD1' ' A' ' 1' ' ' LEU . 43.7 tptt 179.97 48.12 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.13 0.491 . . . . 0.0 112.121 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 39.99 37.6 1.05 Allowed Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.927 -0.579 . . . . 0.0 114.311 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.63 ' N ' ' HB3' ' A' ' 1' ' ' LEU . . . -98.29 -116.23 3.59 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.553 -0.356 . . . . 0.0 112.558 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.527 ' N ' ' HB2' ' A' ' 1' ' ' LEU . 48.6 m -136.41 174.01 11.08 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 110.649 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.74 ' SG ' ' N ' ' A' ' 1' ' ' LEU . 63.7 m -135.66 142.07 45.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.024 -0.423 . . . . 0.0 110.668 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.821 ' CG ' ' SG ' ' A' ' 13' ' ' CYS . 8.5 m-70 -62.68 68.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.628 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.604 ' CD1' ' HD3' ' A' ' 27' ' ' ARG . 5.3 m-85 -80.72 43.58 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 73.68 34.55 56.48 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.395 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.15 68.48 0.01 OUTLIER Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.288 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.821 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 62.5 m -57.15 138.45 80.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 117.502 0.651 . . . . 0.0 110.007 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -35.4 -34.42 0.11 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.682 2.921 . . . . 0.0 113.812 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -171.16 -148.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 13.3 t-160 -74.31 55.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.479 . . . . 0.0 110.479 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.586 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 18.9 mt -74.96 129.8 38.27 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.5 pt -73.87 137.09 23.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.661 0.267 . . . . 0.0 110.39 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 3.8 ttpm? -69.62 91.24 0.59 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.72 HG12 ' SG ' ' A' ' 29' ' ' CYS . 9.9 p -73.98 -21.49 18.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.823 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.638 ' N ' ' SG ' ' A' ' 29' ' ' CYS . . . 175.74 -140.02 4.95 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.91 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 m -125.41 141.17 52.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.174 0.511 . . . . 0.0 111.02 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.1 t -100.0 -42.85 6.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.18 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -165.05 62.93 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.382 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.28 -121.69 9.2 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.749 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -37.6 -46.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.739 0.304 . . . . 0.0 111.19 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.604 ' HD3' ' CD1' ' A' ' 10' ' ' PHE . 30.3 mtt-85 -67.26 81.94 0.14 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.303 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.411 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . 19.7 m -60.12 132.05 52.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.72 ' SG ' HG12 ' A' ' 20' ' ' VAL . 15.4 p -68.75 124.06 22.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.586 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 31.1 p -128.8 139.02 52.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HB3' ' HA3' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -148.34 150.33 33.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.009 178.376 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' N ' HD21 ' A' ' 17' ' ' LEU . 27.5 m95 -48.27 132.54 12.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.339 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 42.2 Cg_exo -55.69 -39.99 87.87 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.057 1.838 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 6.4 m-90 -90.16 25.09 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.447 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -57.16 -33.93 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.855 179.696 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.476 ' HG ' ' HG3' ' A' ' 31' ' ' LYS . 19.1 tp . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 121.085 0.469 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.441 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 3.4 m-85 -43.56 144.8 0.71 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.942 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 4' ' ' LYS . 36.3 t -76.3 -151.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 34.5 ttpt 61.35 51.37 4.25 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.355 0.598 . . . . 0.0 110.641 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.96 -42.93 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.61 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.44 -142.96 0.62 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.086 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.559 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 17.5 t -118.96 128.09 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.189 0.518 . . . . 0.0 110.663 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.635 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 56.7 m -79.96 54.71 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.586 0.708 . . . . 0.0 110.524 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.659 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 3.3 m170 36.67 53.14 1.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.969 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -81.31 30.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 151.08 -140.19 7.71 Favored Glycine 0 N--CA 1.441 -1.008 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.183 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.42 1.76 88.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.267 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.659 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 1.3 m 63.12 160.44 0.12 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -36.3 -38.05 0.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.523 2.815 . . . . 0.0 113.771 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 t -167.63 60.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.356 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.0 m170 49.19 39.56 15.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.215 0.531 . . . . 0.0 110.276 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 19.4 mt -56.25 136.93 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.724 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.0 138.23 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.859 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.75 97.82 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 p -74.39 -26.84 20.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 109.765 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.09 -139.66 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.26 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.6 m -156.23 141.29 17.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.265 0.532 . . . . 0.0 111.041 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 60.1 m -90.82 -133.07 0.11 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.265 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' PHE . 32.3 m-85 -84.77 162.72 19.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 112.757 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.18 -74.12 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.234 -1.348 . . . . 0.0 114.017 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -169.15 25.98 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.554 . . . . 0.0 110.215 -179.065 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.635 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 37.4 mmt180 -79.05 132.35 36.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.289 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.417 ' HB3' ' ND1' ' A' ' 9' ' ' HIS . 2.0 t -90.38 117.38 29.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.723 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' VAL . 19.9 t -73.58 116.57 14.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.656 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 15.7 p -102.89 147.06 27.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.127 0.489 . . . . 0.0 112.094 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' HG3' ' HG ' ' A' ' 1' ' ' LEU . 32.3 mmtp -142.71 141.97 31.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.107 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -51.72 129.03 36.1 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.562 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.7 -39.48 38.19 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.777 2.318 . . . . 0.0 111.743 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -53.69 -37.16 62.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -92.48 37.24 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.673 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.201 179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.591 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.8 m -54.64 133.53 46.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.221 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -64.39 75.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 0.0 110.71 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 8' ' ' CYS . 81.1 m-85 -76.0 60.93 1.46 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.99 20.77 69.12 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.52 -155.14 25.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 173.87 165.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.269 0 C-N-CA 122.278 0.231 . . . . 0.0 110.656 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.78 -42.42 11.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.936 2.424 . . . . 0.0 111.861 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 p -166.45 -157.46 0.28 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.617 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -78.2 50.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 110.779 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 30' ' ' CYS . 60.6 mt -67.27 142.05 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.115 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.611 HG23 ' HG3' ' A' ' 33' ' ' PRO . 44.9 pt -72.59 137.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.072 0.463 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -70.78 135.14 47.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.8 HG21 ' HE3' ' A' ' 31' ' ' LYS . 34.1 m -146.93 34.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.17 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.19 -160.16 29.6 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.327 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 23.5 t -174.91 144.85 0.8 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.212 0.53 . . . . 0.0 110.626 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.5 m -94.32 -140.57 0.23 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.378 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -59.41 145.29 44.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.42 -125.65 34.82 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -110.8 35.56 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.099 0.476 . . . . 0.0 111.405 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 42.1 mmt180 -77.15 60.1 1.85 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.524 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 33.9 m -42.24 120.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.827 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.404 ' H ' ' HA ' ' A' ' 22' ' ' SER . 98.0 m -71.18 122.16 19.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 17' ' ' LEU . 14.2 p -101.59 143.79 31.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.122 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.8 ' HE3' HG21 ' A' ' 20' ' ' VAL . 5.7 ttmt -151.63 152.95 33.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.934 0.397 . . . . 0.0 110.043 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 39.8 m95 -59.5 136.14 89.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.155 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.611 ' HG3' HG23 ' A' ' 18' ' ' ILE . 32.9 Cg_exo -58.37 -41.88 61.4 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.404 2.069 . . . . 0.0 111.889 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.431 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.686 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.032 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' PHE . 12.8 m -61.59 131.21 49.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -58.26 76.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.862 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' CYS . 3.4 m-30 -74.7 72.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -28.47 4.27 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.88 -123.87 0.68 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.91 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 t -163.01 156.18 16.66 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 45.6 Cg_exo -54.29 -35.81 84.69 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.197 2.598 . . . . 0.0 111.959 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -150.5 43.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.033 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.9 m170 47.67 46.22 18.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 16.3 mt -64.29 149.79 47.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.028 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.1 pt -68.81 142.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' CD ' ' HB3' ' A' ' 28' ' ' SER . 85.4 tttt -64.88 99.63 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.045 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.836 HG21 ' HB3' ' A' ' 31' ' ' LYS . 54.7 t -89.46 -5.17 10.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.22 -153.34 10.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.059 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 1.5 m -145.21 135.4 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 111.325 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 t -103.15 -37.32 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.199 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -167.42 159.82 12.75 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -40.64 -48.14 3.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.469 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -105.19 40.12 1.59 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.071 0.462 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.525 HH11 ' HG2' ' A' ' 27' ' ' ARG . 43.8 mtt-85 -158.1 58.07 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.517 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 34.1 m -61.5 122.64 15.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 82.2 m -68.08 120.33 14.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 110.647 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 10.3 p -109.53 141.27 42.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.952 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.836 ' HB3' HG21 ' A' ' 20' ' ' VAL . 17.3 tppt? -142.28 155.12 45.2 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -50.26 138.23 20.68 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.04 -22.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.803 2.335 . . . . 0.0 112.155 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.57 ' N ' ' CE3' ' A' ' 34' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.677 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.598 ' N ' ' HZ3' ' A' ' 31' ' ' LYS . 26.6 t . . . . . 0 C--O 1.235 0.32 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 9.4 m -93.05 151.66 19.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.716 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 m-70 -70.2 63.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 56.0 m-85 -70.48 68.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 -45.56 3.45 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.649 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -124.08 -135.45 4.47 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.716 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 2.5 m 170.48 152.91 0.18 Allowed Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.607 0.363 . . . . 0.0 110.637 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -43.99 -32.57 4.7 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.246 2.631 . . . . 0.0 112.882 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' LEU . 41.7 t -175.46 49.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.415 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 63.25 -70.62 0.06 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.073 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 12.3 mt 66.92 -134.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.453 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -147.44 139.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' NZ ' ' OG ' ' A' ' 22' ' ' SER . 66.4 tttp -61.74 79.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.401 0.62 . . . . 0.0 111.548 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.822 HG21 ' HB2' ' A' ' 31' ' ' LYS . 29.4 m -77.25 42.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.946 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.23 -142.24 15.72 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.92 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.539 ' C ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 m -161.61 141.14 10.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.064 0.459 . . . . 0.0 111.207 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 37.6 m -84.99 -142.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.932 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.3 131.43 46.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.8 -157.66 53.18 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -80.97 15.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.15 0.475 . . . . 0.0 111.402 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -64.74 83.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.445 ' CB ' ' HZ3' ' A' ' 19' ' ' LYS . 27.5 m -49.16 124.9 9.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.871 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' ' C ' ' A' ' 22' ' ' SER . 73.8 m -72.36 124.81 25.9 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 10.6 p -114.32 113.8 25.06 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.766 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.822 ' HB2' HG21 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -126.13 146.84 49.78 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.136 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.577 ' C ' ' H ' ' A' ' 34' ' ' TRP . 89.8 m95 -40.94 134.07 1.75 Allowed Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.451 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 32' ' ' TRP . 19.6 Cg_exo -63.54 20.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.387 2.058 . . . . 0.0 112.401 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.577 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 74.6 m -54.77 129.66 37.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.173 0.511 . . . . 0.0 110.513 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -52.64 85.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.939 -177.633 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -78.9 54.55 1.58 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.04 42.93 50.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.333 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.5 -143.78 14.34 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.92 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 2.6 t -175.87 156.96 1.73 Allowed Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.92 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 83.3 Cg_exo -45.24 -35.15 10.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.954 2.436 . . . . 0.0 112.315 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 p -165.67 54.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.231 0.539 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 47.99 46.99 19.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.263 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.666 ' HG ' ' SG ' ' A' ' 13' ' ' CYS . 10.8 mt -61.74 146.41 49.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.738 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.83 134.59 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.598 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 2.3 ttpm? -67.07 123.07 19.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.191 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.66 35.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.252 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 29' ' ' CYS . . . 158.07 -159.74 30.25 Favored Glycine 0 CA--C 1.513 -0.051 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.697 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 7.2 p -178.24 135.38 0.16 Allowed 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 2.8 m -99.59 155.17 17.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.427 -1.261 . . . . 0.0 107.623 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -48.54 144.72 4.01 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.85 42.07 7.37 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.826 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 47.61 30.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 37.3 mmt180 -80.01 59.01 3.1 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 4.0 m -47.27 117.23 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.213 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' N ' ' A' ' 22' ' ' SER . 21.7 m -69.97 139.74 52.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 7.5 p -133.75 145.89 50.24 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.26 0.35 . . . . 0.0 111.094 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.598 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 2.2 tmmt? -143.39 143.85 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.307 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -49.81 135.99 19.85 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.782 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 53.1 Cg_exo -53.96 -51.09 11.51 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.029 1.819 . . . . 0.0 111.49 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.413 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 4.0 m-90 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.813 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 3.2 m -54.1 133.55 43.95 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.092 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.715 ' ND1' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -70.75 55.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.684 -179.222 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -80.43 40.92 0.52 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.322 0.582 . . . . 0.0 110.162 178.789 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.57 -46.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.419 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.539 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -176.11 -137.94 2.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.266 -0.492 . . . . 0.0 111.923 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m 174.45 137.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.454 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 77.4 Cg_exo -49.75 133.28 32.88 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.72 2.28 . . . . 0.0 112.919 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.9 m 54.89 -130.52 2.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -121.27 58.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.968 0.413 . . . . 0.0 110.562 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.51 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 22.3 mt -54.76 127.03 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LYS . 47.1 mm -72.36 128.15 35.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' A' ' 28' ' ' SER . 26.7 ttpp -58.61 113.63 2.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.56 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 16.8 t -74.41 -43.38 49.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.741 0.781 . . . . 0.0 109.09 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.84 -146.93 7.14 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -94.93 -146.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 37.9 t -177.84 -69.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -178.85 141.75 0.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.4 37.53 93.32 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.226 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 58.65 38.82 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.102 -0.549 . . . . 0.0 111.355 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HD3' ' HB3' ' A' ' 10' ' ' PHE . 4.9 mtt180 -100.01 119.61 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.357 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB2' ' HG3' ' A' ' 19' ' ' LYS . 13.3 p -82.59 123.63 29.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 8.7 m -78.47 104.19 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.715 ' SG ' ' ND1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -85.81 151.71 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.637 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB2' ' CG2' ' A' ' 20' ' ' VAL . 36.8 ttmt -139.41 150.19 44.97 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -58.81 134.4 86.76 Favored Pre-proline 0 C--N 1.315 -0.894 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.631 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 51.6 Cg_exo -53.73 -45.09 43.57 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.04 1.827 . . . . 0.0 111.142 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.768 179.792 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' CYS . 9.4 p . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.628 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 98.1 m -47.96 131.6 15.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.445 0.641 . . . . 0.0 111.761 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.775 ' ND1' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -59.54 75.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.354 -178.458 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CE1' ' HD3' ' A' ' 27' ' ' ARG . 4.0 m-30 -73.79 43.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.869 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 55.03 35.06 58.73 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.391 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.73 37.82 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.064 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.765 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 64.5 m -87.42 132.02 42.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 122.53 -0.394 . . . . 0.0 110.301 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.2 Cg_exo -56.15 139.76 86.08 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.39 2.06 . . . . 0.0 111.94 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.6 t 49.49 -137.95 0.97 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.011 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.418 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.5 p80 -125.97 46.33 2.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 16.2 mt -36.4 138.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.064 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.51 HG13 HG13 ' A' ' 20' ' ' VAL . 22.1 pt -53.64 130.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.212 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 5.7 ttpm? -73.12 72.89 1.21 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.041 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 18' ' ' ILE . 15.3 m -76.63 47.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -158.38 15.78 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 13.6 p -177.34 138.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.194 0.497 . . . . 0.0 111.672 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.32 -39.65 93.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.456 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -173.99 56.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.813 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 26' ' ' PHE . . . 86.33 -119.32 5.11 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 25' ' ' GLY . 23.9 t80 -23.88 -50.68 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.846 0.458 . . . . 0.0 111.809 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 92.7 mtt180 -73.84 60.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.393 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.572 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 2.3 p -57.93 127.97 34.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.956 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 22' ' ' SER . 82.9 m -61.35 95.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.401 0.62 . . . . 0.0 110.017 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.775 ' SG ' ' ND1' ' A' ' 9' ' ' HIS . 2.2 m -77.01 134.22 38.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.466 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HE2' HG21 ' A' ' 20' ' ' VAL . 38.0 ttpt -153.41 145.42 23.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 36.8 m95 -64.14 135.9 96.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -44.83 -53.96 4.65 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.335 2.024 . . . . 0.0 111.654 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.4 0.619 . . . . 0.0 111.336 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.956 0.408 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 11.1 m -74.51 146.57 42.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.78 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -58.36 70.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.253 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' CYS . 7.4 m-85 -86.21 37.2 0.71 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.61 42.07 95.96 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.849 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.36 51.13 0.1 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.433 ' SG ' ' ND1' ' A' ' 9' ' ' HIS . 3.9 m -75.77 140.64 71.22 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.774 0.321 . . . . 0.0 110.69 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -38.75 -41.84 1.76 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.411 2.741 . . . . 0.0 113.232 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -169.61 -153.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.48 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 16' ' ' HIS . 26.7 p80 -73.43 42.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 111.281 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 30' ' ' CYS . 65.4 mt -61.26 137.07 58.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.944 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.427 HG23 ' HG3' ' A' ' 33' ' ' PRO . 35.0 pt -66.09 139.64 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 5.2 ttpm? -75.96 95.1 3.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 0.0 110.135 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.63 HG21 ' CG ' ' A' ' 31' ' ' LYS . 36.5 t -65.85 -31.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.533 0.682 . . . . 0.0 110.042 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -179.88 -137.67 3.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.7 m -160.03 142.76 13.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.89 0.845 . . . . 0.0 111.782 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 22.4 m -96.81 -163.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.473 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.481 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 29.3 m-85 -65.94 134.01 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.702 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.98 44.49 7.63 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.15 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 54.7 t80 51.33 22.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.261 0.553 . . . . 0.0 111.274 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.647 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 41.0 mmt180 -72.47 76.18 1.05 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 45.0 m -46.35 122.25 3.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 64.7 m -65.7 127.62 32.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.78 ' SG ' ' CE1' ' A' ' 9' ' ' HIS . 31.9 m -101.49 134.68 44.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.63 ' CG ' HG21 ' A' ' 20' ' ' VAL . 75.3 mmtt -149.36 147.52 28.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.488 ' C ' ' H ' ' A' ' 34' ' ' TRP . 39.4 m95 -65.43 141.57 98.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.645 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HG3' HG23 ' A' ' 18' ' ' ILE . 11.7 Cg_exo -69.57 34.11 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.895 2.397 . . . . 0.0 112.19 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.488 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 16.4 m . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.7 m -53.47 142.56 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.032 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.743 ' ND1' ' SG ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -63.34 80.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.232 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.44 ' C ' ' H ' ' A' ' 12' ' ' GLY . 12.4 m-30 -62.41 68.42 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.541 0.337 . . . . 0.0 110.707 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' HIS . . . 74.95 -44.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 10' ' ' PHE . . . -167.08 101.87 0.18 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.743 ' SG ' ' ND1' ' A' ' 9' ' ' HIS . 78.4 m -46.71 148.86 1.63 Allowed Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.518 0.199 . . . . 0.0 110.603 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -34.05 -31.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.653 2.902 . . . . 0.0 113.614 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' CYS . 30.9 t -163.19 51.79 0.17 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 43.99 47.46 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.435 0.636 . . . . 0.0 109.483 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.559 ' HB3' ' C ' ' A' ' 31' ' ' LYS . 12.9 mt -55.04 142.64 29.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.017 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.1 pt -49.01 127.78 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 35.1 ttpt -69.79 137.56 51.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.748 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG11 ' HE3' ' A' ' 31' ' ' LYS . 11.8 m -145.92 52.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.291 0.567 . . . . 0.0 110.621 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.26 -158.41 22.05 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 39.5 t -169.5 143.84 2.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.692 0.758 . . . . 0.0 111.753 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -95.26 -52.88 3.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.49 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.546 ' CE1' ' HD2' ' A' ' 27' ' ' ARG . 5.9 p90 175.62 144.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.814 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.65 -142.63 44.15 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -80.79 0.71 33.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 54.1 mtt-85 -75.38 52.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.994 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -59.12 140.42 55.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 73.6 m -62.69 142.47 58.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.717 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 31.7 p -153.39 156.39 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.108 0.48 . . . . 0.0 111.798 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.559 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -163.13 144.6 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.082 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.438 ' HB3' ' NE1' ' A' ' 34' ' ' TRP . 48.1 m95 -49.56 141.14 13.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.673 0.273 . . . . 0.0 110.628 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.48 -47.5 24.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.187 1.924 . . . . 0.0 111.554 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.438 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.956 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 63.7 m -135.66 142.07 45.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.024 -0.423 . . . . 0.0 110.668 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.821 ' CG ' ' SG ' ' A' ' 13' ' ' CYS . 2.7 m80 -62.68 68.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.628 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.636 ' CD1' ' HD3' ' A' ' 27' ' ' ARG . 5.3 m-85 -80.72 43.58 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.68 34.55 56.48 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.395 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.15 68.48 0.01 OUTLIER Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.288 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.821 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 62.5 m -57.15 138.45 80.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 117.502 0.651 . . . . 0.0 110.007 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -35.4 -34.42 0.11 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.682 2.921 . . . . 0.0 113.812 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -171.16 -148.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.31 55.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.479 . . . . 0.0 110.479 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 32' ' ' TRP . 18.9 mt -74.96 129.8 38.27 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.852 HG23 ' HG3' ' A' ' 33' ' ' PRO . 23.5 pt -73.87 137.09 23.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.661 0.267 . . . . 0.0 110.39 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 3.8 ttpm? -69.62 91.24 0.59 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.87 HG13 ' SG ' ' A' ' 29' ' ' CYS . 9.9 p -73.98 -21.49 18.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.823 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.638 ' N ' ' SG ' ' A' ' 29' ' ' CYS . . . 175.74 -140.02 4.95 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.91 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 m -125.41 141.17 52.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.174 0.511 . . . . 0.0 111.02 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.1 t -100.0 -42.85 6.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.18 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -165.05 62.93 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.382 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.28 -121.69 9.2 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.749 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -37.6 -46.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.739 0.304 . . . . 0.0 111.19 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.636 ' HD3' ' CD1' ' A' ' 10' ' ' PHE . 30.3 mtt-85 -67.26 81.94 0.14 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.303 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.431 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . 19.7 m -60.12 132.05 52.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.87 ' SG ' HG13 ' A' ' 20' ' ' VAL . 15.4 p -68.75 124.06 22.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 31.1 p -128.8 139.02 52.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.506 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -148.34 150.33 33.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.009 178.376 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.635 ' N ' HD22 ' A' ' 17' ' ' LEU . 27.5 m95 -48.27 132.54 12.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.339 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.852 ' HG3' HG23 ' A' ' 18' ' ' ILE . 42.2 Cg_exo -55.69 -39.99 87.87 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.057 1.838 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 6.4 m-90 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.447 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.564 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 17.5 t . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.189 0.518 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.696 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 56.7 m -79.96 54.71 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.586 0.708 . . . . 0.0 110.524 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.614 ' CD2' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER 36.67 53.14 1.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.969 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -81.31 30.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 151.08 -140.19 7.71 Favored Glycine 0 N--CA 1.441 -1.008 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.183 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.42 1.76 88.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.267 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 1.3 m 63.12 160.44 0.12 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -36.3 -38.05 0.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.523 2.815 . . . . 0.0 113.771 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 t -167.63 60.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.356 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.0 m170 49.19 39.56 15.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.215 0.531 . . . . 0.0 110.276 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 19.4 mt -56.25 136.93 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.724 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.0 138.23 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.859 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.75 97.82 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 p -74.39 -26.84 20.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 109.765 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.09 -139.66 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.26 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.412 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 12.6 m -156.23 141.29 17.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.265 0.532 . . . . 0.0 111.041 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 60.1 m -90.82 -133.07 0.11 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.265 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' PHE . 32.3 m-85 -84.77 162.72 19.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 112.757 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.18 -74.12 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.234 -1.348 . . . . 0.0 114.017 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -169.15 25.98 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.554 . . . . 0.0 110.215 -179.065 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.696 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 37.4 mmt180 -79.05 132.35 36.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.289 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.614 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 2.0 t -90.38 117.38 29.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.723 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' VAL . 19.9 t -73.58 116.57 14.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.642 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 15.7 p -102.89 147.06 27.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.127 0.489 . . . . 0.0 112.094 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.486 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 32.3 mmtp -142.71 141.97 31.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.107 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.538 ' HA ' HD22 ' A' ' 17' ' ' LEU . 68.2 m95 -51.72 129.03 36.1 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.562 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.7 -39.48 38.19 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.777 2.318 . . . . 0.0 111.743 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.364 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.458 ' HA ' ' HA2' ' A' ' 6' ' ' GLY . 4.1 tt . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -89.99 -84.37 0.23 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.651 ' CB ' ' SG ' ' A' ' 23' ' ' CYS . 7.7 p -59.35 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.028 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -73.82 52.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.005 0.431 . . . . 0.0 110.479 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.61 ' CA ' HG23 ' A' ' 20' ' ' VAL . . . 168.95 -41.28 0.22 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.606 ' O ' ' SG ' ' A' ' 3' ' ' CYS . . . 166.48 -120.73 0.94 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t -104.15 120.83 41.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.591 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.8 m -54.64 133.53 46.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.221 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -64.39 75.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 0.0 110.71 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 8' ' ' CYS . 81.1 m-85 -76.0 60.93 1.46 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.99 20.77 69.12 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.52 -155.14 25.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 173.87 165.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.269 0 C-N-CA 122.278 0.231 . . . . 0.0 110.656 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.78 -42.42 11.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.936 2.424 . . . . 0.0 111.861 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 p -166.45 -157.46 0.28 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.617 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -78.2 50.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 110.779 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 30' ' ' CYS . 60.6 mt -67.27 142.05 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.115 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.611 HG23 ' HG3' ' A' ' 33' ' ' PRO . 44.9 pt -72.59 137.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.072 0.463 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -70.78 135.14 47.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.8 HG21 ' HE3' ' A' ' 31' ' ' LYS . 34.1 m -146.93 34.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.17 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.19 -160.16 29.6 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.327 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 23.5 t -174.91 144.85 0.8 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.212 0.53 . . . . 0.0 110.626 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.651 ' SG ' ' CB ' ' A' ' 3' ' ' CYS . 80.5 m -94.32 -140.57 0.23 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.378 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -59.41 145.29 44.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.42 -125.65 34.82 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -110.8 35.56 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.099 0.476 . . . . 0.0 111.405 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 42.1 mmt180 -77.15 60.1 1.85 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.524 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 33.9 m -42.24 120.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.827 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 6' ' ' GLY . 98.0 m -71.18 122.16 19.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 17' ' ' LEU . 14.2 p -101.59 143.79 31.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.122 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.8 ' HE3' HG21 ' A' ' 20' ' ' VAL . 5.7 ttmt -151.63 152.95 33.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.934 0.397 . . . . 0.0 110.043 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 39.8 m95 -59.5 136.14 89.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.155 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.611 ' HG3' HG23 ' A' ' 18' ' ' ILE . 32.9 Cg_exo -58.37 -41.88 61.4 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.404 2.069 . . . . 0.0 111.889 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.431 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -78.1 46.09 0.58 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.032 -179.714 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -154.14 43.76 0.55 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.581 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.819 179.529 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.695 ' N ' HD13 ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.894 0.378 . . . . 0.0 111.034 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.452 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 2.8 m-85 -57.59 155.6 9.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.437 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 2' ' ' PHE . 22.4 p 45.21 35.3 1.68 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.537 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 41.75 37.31 0.73 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.331 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' N ' HD23 ' A' ' 1' ' ' LEU . . . -155.16 -53.94 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.278 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 29' ' ' CYS . . . 142.77 -140.34 9.74 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.054 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m -68.69 118.77 12.11 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' PHE . 12.8 m -61.59 131.21 49.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -58.26 76.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' CYS . 3.4 m-30 -74.7 72.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -28.47 4.27 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.88 -123.87 0.68 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.91 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 t -163.01 156.18 16.66 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 45.6 Cg_exo -54.29 -35.81 84.69 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.197 2.598 . . . . 0.0 111.959 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -150.5 43.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.033 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.9 m170 47.67 46.22 18.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 16.3 mt -64.29 149.79 47.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.028 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.1 pt -68.81 142.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' CD ' ' HB3' ' A' ' 28' ' ' SER . 85.4 tttt -64.88 99.63 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.045 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.836 HG21 ' HB3' ' A' ' 31' ' ' LYS . 54.7 t -89.46 -5.17 10.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.22 -153.34 10.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.059 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 1.5 m -145.21 135.4 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 111.325 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 t -103.15 -37.32 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.199 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -167.42 159.82 12.75 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -40.64 -48.14 3.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.469 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -105.19 40.12 1.59 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.071 0.462 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.525 HH11 ' HG2' ' A' ' 27' ' ' ARG . 43.8 mtt-85 -158.1 58.07 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.517 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 34.1 m -61.5 122.64 15.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 82.2 m -68.08 120.33 14.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 110.647 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 10.3 p -109.53 141.27 42.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.952 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.836 ' HB3' HG21 ' A' ' 20' ' ' VAL . 17.3 tppt? -142.28 155.12 45.2 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -50.26 138.23 20.68 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.04 -22.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.803 2.335 . . . . 0.0 112.155 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.57 ' N ' ' CE3' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -48.77 -44.82 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.677 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 4.4 m120 -66.67 -45.54 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.526 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 35' ' ' ASN . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.302 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.923 HD12 ' HG2' ' A' ' 31' ' ' LYS . 13.0 mt . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.533 ' C ' ' H ' ' A' ' 4' ' ' LYS . 1.2 m-85 -75.4 54.32 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.515 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 47.8 t 70.39 -32.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.748 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' H ' ' C ' ' A' ' 2' ' ' PHE . 36.3 ttpt -67.76 154.02 42.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.691 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.2 46.88 5.98 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.971 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.464 ' HA3' ' HE2' ' A' ' 31' ' ' LYS . . . 173.48 -128.71 1.54 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.543 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.6 t -151.92 163.56 38.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 9.4 m -93.05 151.66 19.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.716 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 m-70 -70.2 63.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 56.0 m-85 -70.48 68.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 -45.56 3.45 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.649 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -124.08 -135.45 4.47 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.716 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 2.5 m 170.48 152.91 0.18 Allowed Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.607 0.363 . . . . 0.0 110.637 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -43.99 -32.57 4.7 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.246 2.631 . . . . 0.0 112.882 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' LEU . 41.7 t -175.46 49.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.415 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 63.25 -70.62 0.06 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.073 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 12.3 mt 66.92 -134.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.453 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -147.44 139.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' NZ ' ' OG ' ' A' ' 22' ' ' SER . 66.4 tttp -61.74 79.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.401 0.62 . . . . 0.0 111.548 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.822 HG21 ' HB2' ' A' ' 31' ' ' LYS . 29.4 m -77.25 42.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.946 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.23 -142.24 15.72 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.92 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.539 ' C ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 m -161.61 141.14 10.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.064 0.459 . . . . 0.0 111.207 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.439 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 37.6 m -84.99 -142.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.932 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.3 131.43 46.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.8 -157.66 53.18 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -80.97 15.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.15 0.475 . . . . 0.0 111.402 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -64.74 83.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.445 ' CB ' ' HZ3' ' A' ' 19' ' ' LYS . 27.5 m -49.16 124.9 9.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.871 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' ' C ' ' A' ' 22' ' ' SER . 73.8 m -72.36 124.81 25.9 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 10.6 p -114.32 113.8 25.06 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.766 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.923 ' HG2' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -126.13 146.84 49.78 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.136 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.577 ' C ' ' H ' ' A' ' 34' ' ' TRP . 89.8 m95 -40.94 134.07 1.75 Allowed Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.451 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 35' ' ' ASN . 19.6 Cg_exo -63.54 20.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.387 2.058 . . . . 0.0 112.401 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.577 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -77.45 40.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.723 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 33' ' ' PRO . 21.5 t-20 -171.61 113.97 0.36 Allowed 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.31 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.111 -178.407 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.567 ' HB3' ' N ' ' A' ' 6' ' ' GLY . 3.9 mm? . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.828 0.347 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.31 -99.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.669 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 6' ' ' GLY . 1.7 t -37.87 109.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.528 -178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 20' ' ' VAL . 26.2 ttpp 34.64 42.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.213 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.467 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 71.47 41.89 57.15 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.252 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.567 ' N ' ' HB3' ' A' ' 1' ' ' LEU . . . -166.64 134.55 3.32 Favored Glycine 0 C--O 1.224 -0.484 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 p -76.27 124.32 27.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 117.129 0.464 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 74.6 m -54.77 129.66 37.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.173 0.511 . . . . 0.0 110.513 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -52.64 85.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.939 -177.633 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -78.9 54.55 1.58 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.04 42.93 50.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.333 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.5 -143.78 14.34 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.92 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 2.6 t -175.87 156.96 1.73 Allowed Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.92 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 83.3 Cg_exo -45.24 -35.15 10.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.954 2.436 . . . . 0.0 112.315 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 p -165.67 54.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.231 0.539 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 47.99 46.99 19.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.263 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.666 ' HG ' ' SG ' ' A' ' 13' ' ' CYS . 10.8 mt -61.74 146.41 49.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.738 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.83 134.59 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.598 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 2.3 ttpm? -67.07 123.07 19.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.191 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 5' ' ' GLY . 34.6 m -131.66 35.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.252 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 29' ' ' CYS . . . 158.07 -159.74 30.25 Favored Glycine 0 CA--C 1.513 -0.051 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.697 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 7.2 p -178.24 135.38 0.16 Allowed 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 2.8 m -99.59 155.17 17.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.427 -1.261 . . . . 0.0 107.623 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -48.54 144.72 4.01 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.85 42.07 7.37 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.826 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 47.61 30.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 37.3 mmt180 -80.01 59.01 3.1 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 4.0 m -47.27 117.23 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.213 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' N ' ' A' ' 22' ' ' SER . 21.7 m -69.97 139.74 52.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 7.5 p -133.75 145.89 50.24 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.26 0.35 . . . . 0.0 111.094 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.598 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 2.2 tmmt? -143.39 143.85 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.307 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -49.81 135.99 19.85 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.782 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 53.1 Cg_exo -53.96 -51.09 11.51 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.029 1.819 . . . . 0.0 111.49 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.413 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 4.0 m-90 -82.42 -53.62 5.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.813 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.472 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 0.4 OUTLIER 53.13 45.67 28.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.634 0.731 . . . . 0.0 109.119 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.858 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.076 -179.19 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 1' ' ' LEU . 5.3 mp . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 6' ' ' GLY . 25.7 t80 -175.52 -52.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.258 0.551 . . . . 0.0 110.869 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 p -81.18 -134.31 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.748 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.62 73.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.978 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.577 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 61.8 35.63 91.57 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.818 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.49 ' HA2' ' HG ' ' A' ' 1' ' ' LEU . . . 178.35 -153.3 12.62 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -135.67 120.9 18.99 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 3.2 m -54.1 133.55 43.95 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.092 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.715 ' ND1' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -70.75 55.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.684 -179.222 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -80.43 40.92 0.52 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.322 0.582 . . . . 0.0 110.162 178.789 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.57 -46.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.419 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.539 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -176.11 -137.94 2.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.266 -0.492 . . . . 0.0 111.923 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m 174.45 137.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.454 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 77.4 Cg_exo -49.75 133.28 32.88 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.72 2.28 . . . . 0.0 112.919 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.9 m 54.89 -130.52 2.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -121.27 58.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.968 0.413 . . . . 0.0 110.562 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 22.3 mt -54.76 127.03 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LYS . 47.1 mm -72.36 128.15 35.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' A' ' 28' ' ' SER . 26.7 ttpp -58.61 113.63 2.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.577 HG21 ' O ' ' A' ' 5' ' ' GLY . 16.8 t -74.41 -43.38 49.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.741 0.781 . . . . 0.0 109.09 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.84 -146.93 7.14 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -94.93 -146.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 37.9 t -177.84 -69.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -178.85 141.75 0.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.4 37.53 93.32 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.226 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 58.65 38.82 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.102 -0.549 . . . . 0.0 111.355 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HD3' ' HB3' ' A' ' 10' ' ' PHE . 4.9 mtt180 -100.01 119.61 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.357 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB2' ' HG3' ' A' ' 19' ' ' LYS . 13.3 p -82.59 123.63 29.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 8.7 m -78.47 104.19 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.715 ' SG ' ' ND1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -85.81 151.71 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.637 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB2' ' CG2' ' A' ' 20' ' ' VAL . 36.8 ttmt -139.41 150.19 44.97 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -58.81 134.4 86.76 Favored Pre-proline 0 C--N 1.315 -0.894 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.631 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 51.6 Cg_exo -53.73 -45.09 43.57 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.04 1.827 . . . . 0.0 111.142 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -81.83 40.24 0.59 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.768 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' HB2' ' HD3' ' A' ' 31' ' ' LYS . 21.9 p30 -74.74 48.32 0.36 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.578 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.725 179.431 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.53 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 3.0 mm? . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.8 66.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.011 0.434 . . . . 0.0 111.601 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.708 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 3.3 t 163.59 35.5 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.825 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 3' ' ' CYS . 38.9 ttmt 37.99 38.47 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.322 0.582 . . . . 0.0 109.768 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.509 ' O ' ' HD3' ' A' ' 31' ' ' LYS . . . 173.81 -47.63 0.15 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.272 -0.966 . . . . 0.0 113.579 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 3' ' ' CYS . . . -161.18 134.38 3.53 Favored Glycine 0 C--O 1.224 -0.501 0 C-N-CA 119.809 -1.186 . . . . 0.0 113.733 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' CYS . 9.4 p -52.77 109.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.628 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 98.1 m -47.96 131.6 15.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.445 0.641 . . . . 0.0 111.761 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.775 ' ND1' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -59.54 75.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.354 -178.458 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CE1' ' HD3' ' A' ' 27' ' ' ARG . 4.0 m-30 -73.79 43.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.869 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 55.03 35.06 58.73 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.391 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.73 37.82 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.064 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.765 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 64.5 m -87.42 132.02 42.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 122.53 -0.394 . . . . 0.0 110.301 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.2 Cg_exo -56.15 139.76 86.08 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.39 2.06 . . . . 0.0 111.94 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.6 t 49.49 -137.95 0.97 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.011 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.418 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.5 p80 -125.97 46.33 2.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 16.2 mt -36.4 138.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.064 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.51 HG13 HG13 ' A' ' 20' ' ' VAL . 22.1 pt -53.64 130.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.212 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 5.7 ttpm? -73.12 72.89 1.21 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.041 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 18' ' ' ILE . 15.3 m -76.63 47.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -158.38 15.78 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 13.6 p -177.34 138.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.194 0.497 . . . . 0.0 111.672 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.32 -39.65 93.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.456 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -173.99 56.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.813 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 26' ' ' PHE . . . 86.33 -119.32 5.11 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 25' ' ' GLY . 23.9 t80 -23.88 -50.68 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.846 0.458 . . . . 0.0 111.809 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 92.7 mtt180 -73.84 60.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.393 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.572 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 2.3 p -57.93 127.97 34.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.956 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 22' ' ' SER . 82.9 m -61.35 95.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.401 0.62 . . . . 0.0 110.017 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.775 ' SG ' ' ND1' ' A' ' 9' ' ' HIS . 2.2 m -77.01 134.22 38.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.466 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 38.0 ttpt -153.41 145.42 23.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 36.8 m95 -64.14 135.9 96.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -44.83 -53.96 4.65 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.335 2.024 . . . . 0.0 111.654 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -100.35 40.37 1.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.4 0.619 . . . . 0.0 111.336 179.421 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 26.5 t-20 -61.62 -33.51 74.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.414 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 35' ' ' ASN . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.411 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.697 HD12 ' HE3' ' A' ' 31' ' ' LYS . 3.4 mm? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.757 0.313 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -161.83 35.0 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.348 0.594 . . . . 0.0 110.546 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.775 ' SG ' ' N ' ' A' ' 22' ' ' SER . 10.7 t 68.7 -170.93 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.839 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 38.9 ttpt 38.94 48.96 1.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.499 0.666 . . . . 0.0 109.999 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.05 49.36 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.525 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 175.82 -162.66 31.91 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.16 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 m -76.08 101.48 5.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.956 0.408 . . . . 0.0 111.224 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 11.1 m -74.51 146.57 42.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.78 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -58.36 70.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.253 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' CYS . 7.4 m-85 -86.21 37.2 0.71 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.61 42.07 95.96 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.849 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.36 51.13 0.1 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.433 ' SG ' ' ND1' ' A' ' 9' ' ' HIS . 3.9 m -75.77 140.64 71.22 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.774 0.321 . . . . 0.0 110.69 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -38.75 -41.84 1.76 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.411 2.741 . . . . 0.0 113.232 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -169.61 -153.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.48 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 16' ' ' HIS . 26.7 p80 -73.43 42.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 111.281 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 30' ' ' CYS . 65.4 mt -61.26 137.07 58.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.944 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.427 HG23 ' HG3' ' A' ' 33' ' ' PRO . 35.0 pt -66.09 139.64 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 5.2 ttpm? -75.96 95.1 3.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 0.0 110.135 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.63 HG21 ' CG ' ' A' ' 31' ' ' LYS . 36.5 t -65.85 -31.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.533 0.682 . . . . 0.0 110.042 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -179.88 -137.67 3.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.775 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 41.7 m -160.03 142.76 13.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.89 0.845 . . . . 0.0 111.782 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 22.4 m -96.81 -163.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.473 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.481 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 29.3 m-85 -65.94 134.01 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.702 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.98 44.49 7.63 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.15 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 54.7 t80 51.33 22.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.261 0.553 . . . . 0.0 111.274 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.647 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 41.0 mmt180 -72.47 76.18 1.05 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 45.0 m -46.35 122.25 3.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 64.7 m -65.7 127.62 32.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.78 ' SG ' ' CE1' ' A' ' 9' ' ' HIS . 31.9 m -101.49 134.68 44.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.697 ' HE3' HD12 ' A' ' 1' ' ' LEU . 75.3 mmtt -149.36 147.52 28.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.522 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 39.4 m95 -65.43 141.57 98.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.645 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HG3' HG23 ' A' ' 18' ' ' ILE . 11.7 Cg_exo -69.57 34.11 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.895 2.397 . . . . 0.0 112.19 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.488 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -161.01 25.49 0.14 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.522 ' ND2' ' HB2' ' A' ' 32' ' ' TRP . 5.3 m120 -81.39 49.92 1.37 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.71 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 1' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -60.35 -54.21 48.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.377 0.608 . . . . 0.0 110.201 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -72.0 145.72 48.16 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.903 178.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -63.7 71.81 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.267 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 3' ' ' CYS . . . 152.14 -53.83 0.47 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 29' ' ' CYS . . . -168.43 141.71 6.96 Favored Glycine 0 C--O 1.223 -0.561 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.484 ' H ' HD12 ' A' ' 1' ' ' LEU . 16.4 m -51.29 137.04 23.73 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 117.021 0.411 . . . . 0.0 110.639 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.7 m -53.47 142.56 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.032 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.743 ' ND1' ' SG ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -63.34 80.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.232 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.44 ' C ' ' H ' ' A' ' 12' ' ' GLY . 12.4 m-30 -62.41 68.42 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.541 0.337 . . . . 0.0 110.707 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' HIS . . . 74.95 -44.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 10' ' ' PHE . . . -167.08 101.87 0.18 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.743 ' SG ' ' ND1' ' A' ' 9' ' ' HIS . 78.4 m -46.71 148.86 1.63 Allowed Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.518 0.199 . . . . 0.0 110.603 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -34.05 -31.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.653 2.902 . . . . 0.0 113.614 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' CYS . 30.9 t -163.19 51.79 0.17 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 43.99 47.46 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.435 0.636 . . . . 0.0 109.483 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.559 ' HB3' ' C ' ' A' ' 31' ' ' LYS . 12.9 mt -55.04 142.64 29.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.017 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.1 pt -49.01 127.78 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 35.1 ttpt -69.79 137.56 51.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.748 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG11 ' HE3' ' A' ' 31' ' ' LYS . 11.8 m -145.92 52.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.291 0.567 . . . . 0.0 110.621 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.26 -158.41 22.05 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 39.5 t -169.5 143.84 2.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.692 0.758 . . . . 0.0 111.753 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -95.26 -52.88 3.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.49 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.546 ' CE1' ' HD2' ' A' ' 27' ' ' ARG . 5.9 p90 175.62 144.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.814 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.65 -142.63 44.15 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -80.79 0.71 33.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 54.1 mtt-85 -75.38 52.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.994 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -59.12 140.42 55.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 6' ' ' GLY . 73.6 m -62.69 142.47 58.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.717 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 31.7 p -153.39 156.39 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.108 0.48 . . . . 0.0 111.798 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.559 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -163.13 144.6 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.082 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.438 ' HB3' ' NE1' ' A' ' 34' ' ' TRP . 48.1 m95 -49.56 141.14 13.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.673 0.273 . . . . 0.0 110.628 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.48 -47.5 24.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.187 1.924 . . . . 0.0 111.554 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.438 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -76.86 -10.53 59.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.956 179.601 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t30 56.2 59.61 3.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.236 0.541 . . . . 0.0 110.748 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.819 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 1.02 HD22 ' HB2' ' A' ' 29' ' ' CYS . 1.4 tm? . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 121.095 0.474 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HD1' ' H ' ' A' ' 2' ' ' PHE . 7.7 m-85 -57.92 -23.94 55.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.937 0.875 . . . . 0.0 108.933 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 38.2 m -55.36 -27.83 49.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.815 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' N ' ' CD1' ' A' ' 1' ' ' LEU . 43.7 tptt 179.97 48.12 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.13 0.491 . . . . 0.0 112.121 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 39.99 37.6 1.05 Allowed Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.927 -0.579 . . . . 0.0 114.311 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.646 ' N ' ' HB3' ' A' ' 1' ' ' LEU . . . -98.29 -116.23 3.59 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.553 -0.356 . . . . 0.0 112.558 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.81 ' O ' HD23 ' A' ' 1' ' ' LEU . 48.6 m -136.41 174.01 11.08 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 110.649 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.705 ' SG ' ' N ' ' A' ' 1' ' ' LEU . 63.7 m -135.66 142.07 45.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.024 -0.423 . . . . 0.0 110.668 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.821 ' CG ' ' SG ' ' A' ' 13' ' ' CYS . 2.7 m80 -62.68 68.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.628 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.636 ' CD1' ' HD3' ' A' ' 27' ' ' ARG . 5.3 m-85 -80.72 43.58 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.68 34.55 56.48 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.395 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.15 68.48 0.01 OUTLIER Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.288 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.821 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 62.5 m -57.15 138.45 80.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 117.502 0.651 . . . . 0.0 110.007 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -35.4 -34.42 0.11 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.682 2.921 . . . . 0.0 113.812 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -171.16 -148.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.31 55.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.479 . . . . 0.0 110.479 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 32' ' ' TRP . 18.9 mt -74.96 129.8 38.27 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.852 HG23 ' HG3' ' A' ' 33' ' ' PRO . 23.5 pt -73.87 137.09 23.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.661 0.267 . . . . 0.0 110.39 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 3.8 ttpm? -69.62 91.24 0.59 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.87 HG13 ' SG ' ' A' ' 29' ' ' CYS . 9.9 p -73.98 -21.49 18.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.823 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.638 ' N ' ' SG ' ' A' ' 29' ' ' CYS . . . 175.74 -140.02 4.95 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.91 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 m -125.41 141.17 52.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.174 0.511 . . . . 0.0 111.02 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.1 t -100.0 -42.85 6.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.18 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -165.05 62.93 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.382 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.28 -121.69 9.2 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.749 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -37.6 -46.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.739 0.304 . . . . 0.0 111.19 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.636 ' HD3' ' CD1' ' A' ' 10' ' ' PHE . 30.3 mtt-85 -67.26 81.94 0.14 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.303 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.431 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . 19.7 m -60.12 132.05 52.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.02 ' HB2' HD22 ' A' ' 1' ' ' LEU . 15.4 p -68.75 124.06 22.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.64 ' N ' HD23 ' A' ' 1' ' ' LEU . 31.1 p -128.8 139.02 52.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HB3' ' HA3' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -148.34 150.33 33.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.009 178.376 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.635 ' N ' HD22 ' A' ' 17' ' ' LEU . 27.5 m95 -48.27 132.54 12.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.339 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.852 ' HG3' HG23 ' A' ' 18' ' ' ILE . 42.2 Cg_exo -55.69 -39.99 87.87 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.057 1.838 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 6.4 m-90 -90.16 25.09 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.447 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -57.16 -33.93 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.855 179.696 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 31' ' ' LYS . 19.1 tp . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 121.085 0.469 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.441 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 3.4 m-85 -43.56 144.8 0.71 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.942 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' LYS . 36.3 t -76.3 -151.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 34.5 ttpt 61.35 51.37 4.25 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.355 0.598 . . . . 0.0 110.641 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.96 -42.93 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.61 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.44 -142.96 0.62 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.086 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.564 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 17.5 t -118.96 128.09 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.189 0.518 . . . . 0.0 110.663 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.696 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 56.7 m -79.96 54.71 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.586 0.708 . . . . 0.0 110.524 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.614 ' CD2' ' HB3' ' A' ' 28' ' ' SER . 0.1 OUTLIER 36.67 53.14 1.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.969 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -81.31 30.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 151.08 -140.19 7.71 Favored Glycine 0 N--CA 1.441 -1.008 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.183 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.42 1.76 88.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.267 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 1.3 m 63.12 160.44 0.12 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -36.3 -38.05 0.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.523 2.815 . . . . 0.0 113.771 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 t -167.63 60.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.356 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.0 m170 49.19 39.56 15.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.215 0.531 . . . . 0.0 110.276 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 19.4 mt -56.25 136.93 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.724 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.0 138.23 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.859 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.75 97.82 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 p -74.39 -26.84 20.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 109.765 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.09 -139.66 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.26 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.412 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 12.6 m -156.23 141.29 17.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.265 0.532 . . . . 0.0 111.041 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 60.1 m -90.82 -133.07 0.11 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.265 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' PHE . 32.3 m-85 -84.77 162.72 19.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 112.757 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.18 -74.12 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.234 -1.348 . . . . 0.0 114.017 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -169.15 25.98 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.554 . . . . 0.0 110.215 -179.065 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.696 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 37.4 mmt180 -79.05 132.35 36.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.289 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.614 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 2.0 t -90.38 117.38 29.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.723 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' VAL . 19.9 t -73.58 116.57 14.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.642 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 15.7 p -102.89 147.06 27.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.127 0.489 . . . . 0.0 112.094 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.631 ' HB3' HD21 ' A' ' 1' ' ' LEU . 32.3 mmtp -142.71 141.97 31.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.107 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.538 ' HA ' HD22 ' A' ' 17' ' ' LEU . 68.2 m95 -51.72 129.03 36.1 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.562 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.7 -39.48 38.19 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.777 2.318 . . . . 0.0 111.743 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -53.69 -37.16 62.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.575 ' O ' HD22 ' A' ' 1' ' ' LEU . 9.6 m120 -92.48 37.24 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.673 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.201 179.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.591 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.8 m -54.64 133.53 46.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.221 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.607 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 2.8 m170 -64.39 75.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 0.0 110.71 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 8' ' ' CYS . 81.1 m-85 -76.0 60.93 1.46 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.99 20.77 69.12 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.52 -155.14 25.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.607 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 0.6 OUTLIER 173.87 165.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.269 0 C-N-CA 122.278 0.231 . . . . 0.0 110.656 179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.78 -42.42 11.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.936 2.424 . . . . 0.0 111.861 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 p -166.45 -157.46 0.28 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.617 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -78.2 50.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 110.779 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 30' ' ' CYS . 60.6 mt -67.27 142.05 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.115 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.611 HG23 ' HG3' ' A' ' 33' ' ' PRO . 44.9 pt -72.59 137.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.072 0.463 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -70.78 135.14 47.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.8 HG21 ' HE3' ' A' ' 31' ' ' LYS . 34.1 m -146.93 34.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.17 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.19 -160.16 29.6 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.327 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 23.5 t -174.91 144.85 0.8 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.212 0.53 . . . . 0.0 110.626 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.5 m -94.32 -140.57 0.23 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.378 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -59.41 145.29 44.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.42 -125.65 34.82 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -110.8 35.56 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.099 0.476 . . . . 0.0 111.405 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 42.1 mmt180 -77.15 60.1 1.85 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.9 m -42.24 120.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.827 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.404 ' H ' ' HA ' ' A' ' 22' ' ' SER . 98.0 m -71.18 122.16 19.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 17' ' ' LEU . 14.2 p -101.59 143.79 31.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.122 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.8 ' HE3' HG21 ' A' ' 20' ' ' VAL . 5.7 ttmt -151.63 152.95 33.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.934 0.397 . . . . 0.0 110.043 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 39.8 m95 -59.5 136.14 89.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.155 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.611 ' HG3' HG23 ' A' ' 18' ' ' ILE . 32.9 Cg_exo -58.37 -41.88 61.4 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.404 2.069 . . . . 0.0 111.889 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.431 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.686 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.032 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' PHE . 12.8 m -61.59 131.21 49.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.581 ' HD2' ' SG ' ' A' ' 30' ' ' CYS . 1.3 m170 -58.26 76.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' CYS . 3.4 m-30 -74.7 72.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -28.47 4.27 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' CD2' ' A' ' 9' ' ' HIS . . . -165.88 -123.87 0.68 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.91 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 t -163.01 156.18 16.66 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 45.6 Cg_exo -54.29 -35.81 84.69 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.197 2.598 . . . . 0.0 111.959 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -150.5 43.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.033 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.9 m170 47.67 46.22 18.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 16.3 mt -64.29 149.79 47.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.028 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.1 pt -68.81 142.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' CD ' ' HB3' ' A' ' 28' ' ' SER . 85.4 tttt -64.88 99.63 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.045 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.836 HG21 ' HB3' ' A' ' 31' ' ' LYS . 54.7 t -89.46 -5.17 10.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.22 -153.34 10.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.059 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 1.5 m -145.21 135.4 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 111.325 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 t -103.15 -37.32 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.199 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -167.42 159.82 12.75 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -40.64 -48.14 3.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.469 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -105.19 40.12 1.59 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.071 0.462 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.525 HH11 ' HG2' ' A' ' 27' ' ' ARG . 43.8 mtt-85 -158.1 58.07 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.517 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 34.1 m -61.5 122.64 15.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 82.2 m -68.08 120.33 14.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 110.647 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.581 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 10.3 p -109.53 141.27 42.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.952 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.836 ' HB3' HG21 ' A' ' 20' ' ' VAL . 17.3 tppt? -142.28 155.12 45.2 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -50.26 138.23 20.68 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.04 -22.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.803 2.335 . . . . 0.0 112.155 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.57 ' N ' ' CE3' ' A' ' 34' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.677 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.598 ' N ' ' HZ3' ' A' ' 31' ' ' LYS . 26.6 t . . . . . 0 C--O 1.235 0.32 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 9.4 m -93.05 151.66 19.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.716 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 m-70 -70.2 63.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 56.0 m-85 -70.48 68.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 -45.56 3.45 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.649 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -124.08 -135.45 4.47 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.716 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 2.5 m 170.48 152.91 0.18 Allowed Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.607 0.363 . . . . 0.0 110.637 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -43.99 -32.57 4.7 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.246 2.631 . . . . 0.0 112.882 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' LEU . 41.7 t -175.46 49.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.415 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 63.25 -70.62 0.06 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.073 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 12.3 mt 66.92 -134.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.453 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -147.44 139.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' NZ ' ' OG ' ' A' ' 22' ' ' SER . 66.4 tttp -61.74 79.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.401 0.62 . . . . 0.0 111.548 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.822 HG21 ' HB2' ' A' ' 31' ' ' LYS . 29.4 m -77.25 42.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.946 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.23 -142.24 15.72 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.92 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.539 ' C ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 m -161.61 141.14 10.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.064 0.459 . . . . 0.0 111.207 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 37.6 m -84.99 -142.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.932 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.3 131.43 46.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.8 -157.66 53.18 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -80.97 15.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.15 0.475 . . . . 0.0 111.402 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -64.74 83.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.445 ' CB ' ' HZ3' ' A' ' 19' ' ' LYS . 27.5 m -49.16 124.9 9.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.871 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' ' C ' ' A' ' 22' ' ' SER . 73.8 m -72.36 124.81 25.9 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 10.6 p -114.32 113.8 25.06 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.766 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.822 ' HB2' HG21 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -126.13 146.84 49.78 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.136 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.577 ' C ' ' H ' ' A' ' 34' ' ' TRP . 89.8 m95 -40.94 134.07 1.75 Allowed Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.451 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 32' ' ' TRP . 19.6 Cg_exo -63.54 20.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.387 2.058 . . . . 0.0 112.401 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.577 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 74.6 m -54.77 129.66 37.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.173 0.511 . . . . 0.0 110.513 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.606 ' HD2' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.64 85.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.939 -177.633 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -78.9 54.55 1.58 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.04 42.93 50.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.333 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.5 -143.78 14.34 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.92 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 2.6 t -175.87 156.96 1.73 Allowed Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.92 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 83.3 Cg_exo -45.24 -35.15 10.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.954 2.436 . . . . 0.0 112.315 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 p -165.67 54.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.231 0.539 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 47.99 46.99 19.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.263 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.666 ' HG ' ' SG ' ' A' ' 13' ' ' CYS . 10.8 mt -61.74 146.41 49.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.738 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.83 134.59 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.598 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 2.3 ttpm? -67.07 123.07 19.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.191 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.66 35.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.252 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 29' ' ' CYS . . . 158.07 -159.74 30.25 Favored Glycine 0 CA--C 1.513 -0.051 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.697 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 7.2 p -178.24 135.38 0.16 Allowed 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 2.8 m -99.59 155.17 17.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.427 -1.261 . . . . 0.0 107.623 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -48.54 144.72 4.01 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.85 42.07 7.37 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.826 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 47.61 30.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 37.3 mmt180 -80.01 59.01 3.1 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 4.0 m -47.27 117.23 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.213 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' N ' ' A' ' 22' ' ' SER . 21.7 m -69.97 139.74 52.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.606 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 7.5 p -133.75 145.89 50.24 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.26 0.35 . . . . 0.0 111.094 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.598 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 2.2 tmmt? -143.39 143.85 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.307 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -49.81 135.99 19.85 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.782 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 53.1 Cg_exo -53.96 -51.09 11.51 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.029 1.819 . . . . 0.0 111.49 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.413 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 4.0 m-90 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.813 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 3.2 m -54.1 133.55 43.95 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.092 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.911 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -70.75 55.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.684 -179.222 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -80.43 40.92 0.52 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.322 0.582 . . . . 0.0 110.162 178.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.57 -46.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.419 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.539 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -176.11 -137.94 2.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.266 -0.492 . . . . 0.0 111.923 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m 174.45 137.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.454 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 77.4 Cg_exo -49.75 133.28 32.88 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.72 2.28 . . . . 0.0 112.919 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.9 m 54.89 -130.52 2.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 13.2 t-160 -121.27 58.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.968 0.413 . . . . 0.0 110.562 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.51 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 22.3 mt -54.76 127.03 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LYS . 47.1 mm -72.36 128.15 35.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' A' ' 28' ' ' SER . 26.7 ttpp -58.61 113.63 2.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.56 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 16.8 t -74.41 -43.38 49.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.741 0.781 . . . . 0.0 109.09 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.84 -146.93 7.14 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -94.93 -146.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 37.9 t -177.84 -69.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -178.85 141.75 0.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.4 37.53 93.32 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.226 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 58.65 38.82 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.102 -0.549 . . . . 0.0 111.355 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HD3' ' HB3' ' A' ' 10' ' ' PHE . 4.9 mtt180 -100.01 119.61 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.357 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB2' ' HG3' ' A' ' 19' ' ' LYS . 13.3 p -82.59 123.63 29.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 8.7 m -78.47 104.19 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.911 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -85.81 151.71 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB2' ' CG2' ' A' ' 20' ' ' VAL . 36.8 ttmt -139.41 150.19 44.97 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -58.81 134.4 86.76 Favored Pre-proline 0 C--N 1.315 -0.894 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.631 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 51.6 Cg_exo -53.73 -45.09 43.57 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.04 1.827 . . . . 0.0 111.142 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.768 179.792 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' CYS . 9.4 p . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.628 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 98.1 m -47.96 131.6 15.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.445 0.641 . . . . 0.0 111.761 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.975 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -59.54 75.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.354 -178.458 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CE1' ' HD3' ' A' ' 27' ' ' ARG . 4.0 m-30 -73.79 43.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.869 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 55.03 35.06 58.73 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.391 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.73 37.82 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.064 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.765 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 64.5 m -87.42 132.02 42.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 122.53 -0.394 . . . . 0.0 110.301 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.2 Cg_exo -56.15 139.76 86.08 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.39 2.06 . . . . 0.0 111.94 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.6 t 49.49 -137.95 0.97 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.011 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.418 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.5 p80 -125.97 46.33 2.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 16.2 mt -36.4 138.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.064 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.51 HG13 HG13 ' A' ' 20' ' ' VAL . 22.1 pt -53.64 130.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.212 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 5.7 ttpm? -73.12 72.89 1.21 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.041 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 18' ' ' ILE . 15.3 m -76.63 47.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -158.38 15.78 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 13.6 p -177.34 138.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.194 0.497 . . . . 0.0 111.672 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.32 -39.65 93.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.456 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -173.99 56.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.813 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 26' ' ' PHE . . . 86.33 -119.32 5.11 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 25' ' ' GLY . 23.9 t80 -23.88 -50.68 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.846 0.458 . . . . 0.0 111.809 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 92.7 mtt180 -73.84 60.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.393 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.572 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 2.3 p -57.93 127.97 34.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.956 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 22' ' ' SER . 82.9 m -61.35 95.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.401 0.62 . . . . 0.0 110.017 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.975 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 2.2 m -77.01 134.22 38.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.466 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HE2' HG21 ' A' ' 20' ' ' VAL . 38.0 ttpt -153.41 145.42 23.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 36.8 m95 -64.14 135.9 96.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -44.83 -53.96 4.65 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.335 2.024 . . . . 0.0 111.654 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.4 0.619 . . . . 0.0 111.336 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.956 0.408 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 11.1 m -74.51 146.57 42.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.861 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 4.9 m170 -58.36 70.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' CYS . 7.4 m-85 -86.21 37.2 0.71 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.61 42.07 95.96 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.849 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.36 51.13 0.1 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.625 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 3.9 m -75.77 140.64 71.22 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.774 0.321 . . . . 0.0 110.69 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -38.75 -41.84 1.76 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.411 2.741 . . . . 0.0 113.232 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -169.61 -153.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.48 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.7 p80 -73.43 42.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 111.281 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 30' ' ' CYS . 65.4 mt -61.26 137.07 58.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.944 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.427 HG23 ' HG3' ' A' ' 33' ' ' PRO . 35.0 pt -66.09 139.64 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 5.2 ttpm? -75.96 95.1 3.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 0.0 110.135 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.63 HG21 ' CG ' ' A' ' 31' ' ' LYS . 36.5 t -65.85 -31.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.533 0.682 . . . . 0.0 110.042 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -179.88 -137.67 3.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.7 m -160.03 142.76 13.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.89 0.845 . . . . 0.0 111.782 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 22.4 m -96.81 -163.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.473 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.481 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 29.3 m-85 -65.94 134.01 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.702 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.98 44.49 7.63 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.15 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 54.7 t80 51.33 22.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.261 0.553 . . . . 0.0 111.274 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.647 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 41.0 mmt180 -72.47 76.18 1.05 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 45.0 m -46.35 122.25 3.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 64.7 m -65.7 127.62 32.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.861 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 31.9 m -101.49 134.68 44.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.63 ' CG ' HG21 ' A' ' 20' ' ' VAL . 75.3 mmtt -149.36 147.52 28.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.488 ' C ' ' H ' ' A' ' 34' ' ' TRP . 39.4 m95 -65.43 141.57 98.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.645 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HG3' HG23 ' A' ' 18' ' ' ILE . 11.7 Cg_exo -69.57 34.11 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.895 2.397 . . . . 0.0 112.19 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.488 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 16.4 m . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.7 m -53.47 142.56 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.032 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.949 ' CD2' ' SG ' ' A' ' 13' ' ' CYS . 19.9 m170 -63.34 80.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.44 ' C ' ' H ' ' A' ' 12' ' ' GLY . 12.4 m-30 -62.41 68.42 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.541 0.337 . . . . 0.0 110.707 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' HIS . . . 74.95 -44.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 10' ' ' PHE . . . -167.08 101.87 0.18 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.949 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 78.4 m -46.71 148.86 1.63 Allowed Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.518 0.199 . . . . 0.0 110.603 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -34.05 -31.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.653 2.902 . . . . 0.0 113.614 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' CYS . 30.9 t -163.19 51.79 0.17 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 12.8 t-160 43.99 47.46 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.435 0.636 . . . . 0.0 109.483 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.559 ' HB3' ' C ' ' A' ' 31' ' ' LYS . 12.9 mt -55.04 142.64 29.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.017 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.1 pt -49.01 127.78 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 35.1 ttpt -69.79 137.56 51.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.748 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG11 ' HE3' ' A' ' 31' ' ' LYS . 11.8 m -145.92 52.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.291 0.567 . . . . 0.0 110.621 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.26 -158.41 22.05 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 39.5 t -169.5 143.84 2.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.692 0.758 . . . . 0.0 111.753 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -95.26 -52.88 3.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.49 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.546 ' CE1' ' HD2' ' A' ' 27' ' ' ARG . 5.9 p90 175.62 144.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.814 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.65 -142.63 44.15 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -80.79 0.71 33.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 54.1 mtt-85 -75.38 52.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.994 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -59.12 140.42 55.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 73.6 m -62.69 142.47 58.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.643 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 31.7 p -153.39 156.39 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.108 0.48 . . . . 0.0 111.798 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.559 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -163.13 144.6 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.082 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.438 ' HB3' ' NE1' ' A' ' 34' ' ' TRP . 48.1 m95 -49.56 141.14 13.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.673 0.273 . . . . 0.0 110.628 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.48 -47.5 24.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.187 1.924 . . . . 0.0 111.554 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.438 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.956 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 63.7 m -135.66 142.07 45.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.024 -0.423 . . . . 0.0 110.668 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.821 ' CG ' ' SG ' ' A' ' 13' ' ' CYS . 8.5 m-70 -62.68 68.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.628 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.636 ' CD1' ' HD3' ' A' ' 27' ' ' ARG . 5.3 m-85 -80.72 43.58 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.68 34.55 56.48 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.395 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.15 68.48 0.01 OUTLIER Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.288 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.821 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 62.5 m -57.15 138.45 80.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 117.502 0.651 . . . . 0.0 110.007 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -35.4 -34.42 0.11 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.682 2.921 . . . . 0.0 113.812 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -171.16 -148.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 13.3 t-160 -74.31 55.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.479 . . . . 0.0 110.479 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 32' ' ' TRP . 18.9 mt -74.96 129.8 38.27 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.852 HG23 ' HG3' ' A' ' 33' ' ' PRO . 23.5 pt -73.87 137.09 23.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.661 0.267 . . . . 0.0 110.39 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 3.8 ttpm? -69.62 91.24 0.59 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.87 HG13 ' SG ' ' A' ' 29' ' ' CYS . 9.9 p -73.98 -21.49 18.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.823 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.638 ' N ' ' SG ' ' A' ' 29' ' ' CYS . . . 175.74 -140.02 4.95 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.91 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 m -125.41 141.17 52.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.174 0.511 . . . . 0.0 111.02 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.1 t -100.0 -42.85 6.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.18 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -165.05 62.93 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.382 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.28 -121.69 9.2 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.749 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -37.6 -46.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.739 0.304 . . . . 0.0 111.19 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.636 ' HD3' ' CD1' ' A' ' 10' ' ' PHE . 30.3 mtt-85 -67.26 81.94 0.14 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.303 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.431 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . 19.7 m -60.12 132.05 52.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.87 ' SG ' HG13 ' A' ' 20' ' ' VAL . 15.4 p -68.75 124.06 22.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 31.1 p -128.8 139.02 52.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.506 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -148.34 150.33 33.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.009 178.376 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.635 ' N ' HD22 ' A' ' 17' ' ' LEU . 27.5 m95 -48.27 132.54 12.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.339 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.852 ' HG3' HG23 ' A' ' 18' ' ' ILE . 42.2 Cg_exo -55.69 -39.99 87.87 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.057 1.838 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 6.4 m-90 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.447 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.564 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 17.5 t . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.189 0.518 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.696 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 56.7 m -79.96 54.71 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.586 0.708 . . . . 0.0 110.524 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.673 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 3.3 m170 36.67 53.14 1.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.969 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -81.31 30.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 151.08 -140.19 7.71 Favored Glycine 0 N--CA 1.441 -1.008 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.183 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.42 1.76 88.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.267 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 1.3 m 63.12 160.44 0.12 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -36.3 -38.05 0.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.523 2.815 . . . . 0.0 113.771 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 t -167.63 60.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.356 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.0 m170 49.19 39.56 15.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.215 0.531 . . . . 0.0 110.276 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 19.4 mt -56.25 136.93 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.724 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.0 138.23 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.859 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.75 97.82 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 p -74.39 -26.84 20.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 109.765 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.09 -139.66 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.26 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.412 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 12.6 m -156.23 141.29 17.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.265 0.532 . . . . 0.0 111.041 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 60.1 m -90.82 -133.07 0.11 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.265 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' PHE . 32.3 m-85 -84.77 162.72 19.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 112.757 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.18 -74.12 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.234 -1.348 . . . . 0.0 114.017 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -169.15 25.98 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.554 . . . . 0.0 110.215 -179.065 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.696 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 37.4 mmt180 -79.05 132.35 36.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.289 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.414 ' HB3' ' ND1' ' A' ' 9' ' ' HIS . 2.0 t -90.38 117.38 29.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.723 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' VAL . 19.9 t -73.58 116.57 14.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.673 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 15.7 p -102.89 147.06 27.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.127 0.489 . . . . 0.0 112.094 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.486 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 32.3 mmtp -142.71 141.97 31.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.107 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.538 ' HA ' HD22 ' A' ' 17' ' ' LEU . 68.2 m95 -51.72 129.03 36.1 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.562 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.7 -39.48 38.19 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.777 2.318 . . . . 0.0 111.743 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.364 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.458 ' HA ' ' HA2' ' A' ' 6' ' ' GLY . 4.1 tt . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -89.99 -84.37 0.23 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.651 ' CB ' ' SG ' ' A' ' 23' ' ' CYS . 7.7 p -59.35 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.028 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -73.82 52.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.005 0.431 . . . . 0.0 110.479 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.61 ' CA ' HG23 ' A' ' 20' ' ' VAL . . . 168.95 -41.28 0.22 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.606 ' O ' ' SG ' ' A' ' 3' ' ' CYS . . . 166.48 -120.73 0.94 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t -104.15 120.83 41.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.591 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.8 m -54.64 133.53 46.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.221 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.607 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 2.8 m170 -64.39 75.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 0.0 110.71 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 8' ' ' CYS . 81.1 m-85 -76.0 60.93 1.46 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.99 20.77 69.12 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.52 -155.14 25.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.607 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 0.6 OUTLIER 173.87 165.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.269 0 C-N-CA 122.278 0.231 . . . . 0.0 110.656 179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.78 -42.42 11.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.936 2.424 . . . . 0.0 111.861 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 p -166.45 -157.46 0.28 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.617 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -78.2 50.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 110.779 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 30' ' ' CYS . 60.6 mt -67.27 142.05 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.115 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.611 HG23 ' HG3' ' A' ' 33' ' ' PRO . 44.9 pt -72.59 137.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.072 0.463 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -70.78 135.14 47.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.8 HG21 ' HE3' ' A' ' 31' ' ' LYS . 34.1 m -146.93 34.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.17 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.19 -160.16 29.6 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.327 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 23.5 t -174.91 144.85 0.8 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.212 0.53 . . . . 0.0 110.626 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.651 ' SG ' ' CB ' ' A' ' 3' ' ' CYS . 80.5 m -94.32 -140.57 0.23 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.378 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -59.41 145.29 44.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.42 -125.65 34.82 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.332 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -110.8 35.56 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.099 0.476 . . . . 0.0 111.405 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 42.1 mmt180 -77.15 60.1 1.85 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.9 m -42.24 120.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.827 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 6' ' ' GLY . 98.0 m -71.18 122.16 19.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 17' ' ' LEU . 14.2 p -101.59 143.79 31.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.122 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.8 ' HE3' HG21 ' A' ' 20' ' ' VAL . 5.7 ttmt -151.63 152.95 33.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.934 0.397 . . . . 0.0 110.043 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 39.8 m95 -59.5 136.14 89.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.155 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.611 ' HG3' HG23 ' A' ' 18' ' ' ILE . 32.9 Cg_exo -58.37 -41.88 61.4 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.404 2.069 . . . . 0.0 111.889 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.431 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -78.1 46.09 0.58 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.032 -179.714 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -154.14 43.76 0.55 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.581 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.819 179.529 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.894 0.378 . . . . 0.0 111.034 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.452 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 2.8 m-85 -57.59 155.6 9.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.437 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 2' ' ' PHE . 22.4 p 45.21 35.3 1.68 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.537 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 41.75 37.31 0.73 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.331 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' N ' HD23 ' A' ' 1' ' ' LEU . . . -155.16 -53.94 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.278 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 29' ' ' CYS . . . 142.77 -140.34 9.74 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.054 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m -68.69 118.77 12.11 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' PHE . 12.8 m -61.59 131.21 49.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.581 ' HD2' ' SG ' ' A' ' 30' ' ' CYS . 1.3 m170 -58.26 76.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' CYS . 3.4 m-30 -74.7 72.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -28.47 4.27 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' CD2' ' A' ' 9' ' ' HIS . . . -165.88 -123.87 0.68 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.91 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 t -163.01 156.18 16.66 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 45.6 Cg_exo -54.29 -35.81 84.69 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.197 2.598 . . . . 0.0 111.959 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -150.5 43.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.033 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.9 m170 47.67 46.22 18.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 16.3 mt -64.29 149.79 47.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.028 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.1 pt -68.81 142.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' CD ' ' HB3' ' A' ' 28' ' ' SER . 85.4 tttt -64.88 99.63 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.045 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.836 HG21 ' HB3' ' A' ' 31' ' ' LYS . 54.7 t -89.46 -5.17 10.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.22 -153.34 10.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.059 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 1.5 m -145.21 135.4 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 111.325 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 t -103.15 -37.32 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.199 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -167.42 159.82 12.75 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -40.64 -48.14 3.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.469 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -105.19 40.12 1.59 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.071 0.462 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.525 HH11 ' HG2' ' A' ' 27' ' ' ARG . 43.8 mtt-85 -158.1 58.07 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.517 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 34.1 m -61.5 122.64 15.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 82.2 m -68.08 120.33 14.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 110.647 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.581 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 10.3 p -109.53 141.27 42.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.952 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.836 ' HB3' HG21 ' A' ' 20' ' ' VAL . 17.3 tppt? -142.28 155.12 45.2 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -50.26 138.23 20.68 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.04 -22.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.803 2.335 . . . . 0.0 112.155 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.57 ' N ' ' CE3' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -48.77 -44.82 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.677 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 4.4 m120 -66.67 -45.54 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.526 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 35' ' ' ASN . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.302 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.923 HD12 ' HG2' ' A' ' 31' ' ' LYS . 13.0 mt . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.533 ' C ' ' H ' ' A' ' 4' ' ' LYS . 1.2 m-85 -75.4 54.32 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.515 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 47.8 t 70.39 -32.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.748 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' H ' ' C ' ' A' ' 2' ' ' PHE . 36.3 ttpt -67.76 154.02 42.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.691 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.2 46.88 5.98 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.971 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.464 ' HA3' ' HE2' ' A' ' 31' ' ' LYS . . . 173.48 -128.71 1.54 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.543 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.6 t -151.92 163.56 38.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 9.4 m -93.05 151.66 19.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.716 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 m-70 -70.2 63.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 56.0 m-85 -70.48 68.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 -45.56 3.45 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.649 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -124.08 -135.45 4.47 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.716 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 2.5 m 170.48 152.91 0.18 Allowed Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.607 0.363 . . . . 0.0 110.637 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -43.99 -32.57 4.7 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.246 2.631 . . . . 0.0 112.882 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' LEU . 41.7 t -175.46 49.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.415 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 63.25 -70.62 0.06 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.073 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 12.3 mt 66.92 -134.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.453 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -147.44 139.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' NZ ' ' OG ' ' A' ' 22' ' ' SER . 66.4 tttp -61.74 79.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.401 0.62 . . . . 0.0 111.548 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.822 HG21 ' HB2' ' A' ' 31' ' ' LYS . 29.4 m -77.25 42.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.946 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.23 -142.24 15.72 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.92 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.539 ' C ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 m -161.61 141.14 10.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.064 0.459 . . . . 0.0 111.207 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.439 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 37.6 m -84.99 -142.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.932 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.3 131.43 46.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.8 -157.66 53.18 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -80.97 15.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.15 0.475 . . . . 0.0 111.402 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -64.74 83.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.445 ' CB ' ' HZ3' ' A' ' 19' ' ' LYS . 27.5 m -49.16 124.9 9.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.871 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' ' C ' ' A' ' 22' ' ' SER . 73.8 m -72.36 124.81 25.9 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 10.6 p -114.32 113.8 25.06 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.766 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.923 ' HG2' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -126.13 146.84 49.78 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.136 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.577 ' C ' ' H ' ' A' ' 34' ' ' TRP . 89.8 m95 -40.94 134.07 1.75 Allowed Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.451 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 35' ' ' ASN . 19.6 Cg_exo -63.54 20.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.387 2.058 . . . . 0.0 112.401 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.577 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -77.45 40.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 33' ' ' PRO . 21.5 t-20 -171.61 113.97 0.36 Allowed 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.31 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.111 -178.407 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.567 ' HB3' ' N ' ' A' ' 6' ' ' GLY . 3.9 mm? . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.828 0.347 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.31 -99.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.669 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 6' ' ' GLY . 1.7 t -37.87 109.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.528 -178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 20' ' ' VAL . 26.2 ttpp 34.64 42.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.213 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.467 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 71.47 41.89 57.15 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.252 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.567 ' N ' ' HB3' ' A' ' 1' ' ' LEU . . . -166.64 134.55 3.32 Favored Glycine 0 C--O 1.224 -0.484 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 p -76.27 124.32 27.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 117.129 0.464 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 74.6 m -54.77 129.66 37.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.173 0.511 . . . . 0.0 110.513 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.606 ' HD2' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.64 85.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.939 -177.633 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -78.9 54.55 1.58 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.04 42.93 50.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.333 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.5 -143.78 14.34 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.92 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 2.6 t -175.87 156.96 1.73 Allowed Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.92 ' HD2' ' SG ' ' A' ' 13' ' ' CYS . 83.3 Cg_exo -45.24 -35.15 10.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.954 2.436 . . . . 0.0 112.315 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 p -165.67 54.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.231 0.539 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 47.99 46.99 19.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.263 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.666 ' HG ' ' SG ' ' A' ' 13' ' ' CYS . 10.8 mt -61.74 146.41 49.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.738 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.83 134.59 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.598 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 2.3 ttpm? -67.07 123.07 19.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.191 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 5' ' ' GLY . 34.6 m -131.66 35.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.252 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 29' ' ' CYS . . . 158.07 -159.74 30.25 Favored Glycine 0 CA--C 1.513 -0.051 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.697 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 7.2 p -178.24 135.38 0.16 Allowed 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 2.8 m -99.59 155.17 17.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.427 -1.261 . . . . 0.0 107.623 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -48.54 144.72 4.01 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.85 42.07 7.37 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.826 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 47.61 30.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 37.3 mmt180 -80.01 59.01 3.1 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 4.0 m -47.27 117.23 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.213 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' N ' ' A' ' 22' ' ' SER . 21.7 m -69.97 139.74 52.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.606 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 7.5 p -133.75 145.89 50.24 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.26 0.35 . . . . 0.0 111.094 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.598 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 2.2 tmmt? -143.39 143.85 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.307 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -49.81 135.99 19.85 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.782 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 53.1 Cg_exo -53.96 -51.09 11.51 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.029 1.819 . . . . 0.0 111.49 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.413 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 4.0 m-90 -82.42 -53.62 5.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.813 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 53.13 45.67 28.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.634 0.731 . . . . 0.0 109.119 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.858 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.076 -179.19 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 1' ' ' LEU . 5.3 mp . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 6' ' ' GLY . 25.7 t80 -175.52 -52.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.258 0.551 . . . . 0.0 110.869 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 p -81.18 -134.31 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.748 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.62 73.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.978 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.577 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 61.8 35.63 91.57 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.818 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.49 ' HA2' ' HG ' ' A' ' 1' ' ' LEU . . . 178.35 -153.3 12.62 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -135.67 120.9 18.99 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 3.2 m -54.1 133.55 43.95 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.092 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.911 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -70.75 55.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.684 -179.222 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -80.43 40.92 0.52 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.322 0.582 . . . . 0.0 110.162 178.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.57 -46.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.419 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.539 ' O ' ' SG ' ' A' ' 13' ' ' CYS . . . -176.11 -137.94 2.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.266 -0.492 . . . . 0.0 111.923 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m 174.45 137.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.454 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 77.4 Cg_exo -49.75 133.28 32.88 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.72 2.28 . . . . 0.0 112.919 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.9 m 54.89 -130.52 2.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 13.2 t-160 -121.27 58.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.968 0.413 . . . . 0.0 110.562 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 22.3 mt -54.76 127.03 26.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LYS . 47.1 mm -72.36 128.15 35.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' A' ' 28' ' ' SER . 26.7 ttpp -58.61 113.63 2.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.577 HG21 ' O ' ' A' ' 5' ' ' GLY . 16.8 t -74.41 -43.38 49.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.741 0.781 . . . . 0.0 109.09 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.84 -146.93 7.14 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -94.93 -146.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 37.9 t -177.84 -69.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -178.85 141.75 0.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.4 37.53 93.32 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.226 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 58.65 38.82 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.102 -0.549 . . . . 0.0 111.355 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HD3' ' HB3' ' A' ' 10' ' ' PHE . 4.9 mtt180 -100.01 119.61 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.357 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB2' ' HG3' ' A' ' 19' ' ' LYS . 13.3 p -82.59 123.63 29.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 8.7 m -78.47 104.19 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.911 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -85.81 151.71 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB2' ' CG2' ' A' ' 20' ' ' VAL . 36.8 ttmt -139.41 150.19 44.97 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -58.81 134.4 86.76 Favored Pre-proline 0 C--N 1.315 -0.894 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.631 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 51.6 Cg_exo -53.73 -45.09 43.57 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.04 1.827 . . . . 0.0 111.142 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -81.83 40.24 0.59 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.768 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' HB2' ' HD3' ' A' ' 31' ' ' LYS . 21.9 p30 -74.74 48.32 0.36 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.578 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.725 179.431 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.53 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 3.0 mm? . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.8 66.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.011 0.434 . . . . 0.0 111.601 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.708 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 3.3 t 163.59 35.5 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.825 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 3' ' ' CYS . 38.9 ttmt 37.99 38.47 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.322 0.582 . . . . 0.0 109.768 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.509 ' O ' ' HD3' ' A' ' 31' ' ' LYS . . . 173.81 -47.63 0.15 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.272 -0.966 . . . . 0.0 113.579 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 3' ' ' CYS . . . -161.18 134.38 3.53 Favored Glycine 0 C--O 1.224 -0.501 0 C-N-CA 119.809 -1.186 . . . . 0.0 113.733 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' CYS . 9.4 p -52.77 109.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.628 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 98.1 m -47.96 131.6 15.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.445 0.641 . . . . 0.0 111.761 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.975 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -59.54 75.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.354 -178.458 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CE1' ' HD3' ' A' ' 27' ' ' ARG . 4.0 m-30 -73.79 43.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.869 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 55.03 35.06 58.73 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.391 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.73 37.82 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.064 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.765 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 64.5 m -87.42 132.02 42.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 122.53 -0.394 . . . . 0.0 110.301 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.2 Cg_exo -56.15 139.76 86.08 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.39 2.06 . . . . 0.0 111.94 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.6 t 49.49 -137.95 0.97 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.011 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.418 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.5 p80 -125.97 46.33 2.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 16.2 mt -36.4 138.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.064 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.51 HG13 HG13 ' A' ' 20' ' ' VAL . 22.1 pt -53.64 130.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.212 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 5.7 ttpm? -73.12 72.89 1.21 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.041 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 18' ' ' ILE . 15.3 m -76.63 47.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -158.38 15.78 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 13.6 p -177.34 138.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.194 0.497 . . . . 0.0 111.672 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.32 -39.65 93.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.456 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -173.99 56.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.813 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 26' ' ' PHE . . . 86.33 -119.32 5.11 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 25' ' ' GLY . 23.9 t80 -23.88 -50.68 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.846 0.458 . . . . 0.0 111.809 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 92.7 mtt180 -73.84 60.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.393 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.572 ' N ' ' HB2' ' A' ' 9' ' ' HIS . 2.3 p -57.93 127.97 34.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.956 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 22' ' ' SER . 82.9 m -61.35 95.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.401 0.62 . . . . 0.0 110.017 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.975 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 2.2 m -77.01 134.22 38.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.466 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 38.0 ttpt -153.41 145.42 23.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 36.8 m95 -64.14 135.9 96.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -44.83 -53.96 4.65 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.335 2.024 . . . . 0.0 111.654 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -100.35 40.37 1.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.4 0.619 . . . . 0.0 111.336 179.421 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 28.6 t30 -61.62 -33.51 74.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.414 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 35' ' ' ASN . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.411 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.697 HD12 ' HE3' ' A' ' 31' ' ' LYS . 3.4 mm? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.757 0.313 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -161.83 35.0 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.348 0.594 . . . . 0.0 110.546 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.775 ' SG ' ' N ' ' A' ' 22' ' ' SER . 10.7 t 68.7 -170.93 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.839 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 38.9 ttpt 38.94 48.96 1.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.499 0.666 . . . . 0.0 109.999 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.05 49.36 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.525 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 175.82 -162.66 31.91 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.16 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 m -76.08 101.48 5.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.956 0.408 . . . . 0.0 111.224 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 11.1 m -74.51 146.57 42.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.861 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 4.9 m170 -58.36 70.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' CYS . 7.4 m-85 -86.21 37.2 0.71 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.61 42.07 95.96 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.849 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.36 51.13 0.1 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.625 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 3.9 m -75.77 140.64 71.22 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.774 0.321 . . . . 0.0 110.69 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -38.75 -41.84 1.76 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.411 2.741 . . . . 0.0 113.232 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -169.61 -153.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.48 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.7 p80 -73.43 42.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 111.281 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 30' ' ' CYS . 65.4 mt -61.26 137.07 58.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.944 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.427 HG23 ' HG3' ' A' ' 33' ' ' PRO . 35.0 pt -66.09 139.64 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 5.2 ttpm? -75.96 95.1 3.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 0.0 110.135 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.63 HG21 ' CG ' ' A' ' 31' ' ' LYS . 36.5 t -65.85 -31.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.533 0.682 . . . . 0.0 110.042 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -179.88 -137.67 3.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.775 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 41.7 m -160.03 142.76 13.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.89 0.845 . . . . 0.0 111.782 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 22.4 m -96.81 -163.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.473 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.481 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 29.3 m-85 -65.94 134.01 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.702 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.98 44.49 7.63 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.15 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 54.7 t80 51.33 22.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.261 0.553 . . . . 0.0 111.274 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.647 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 41.0 mmt180 -72.47 76.18 1.05 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 45.0 m -46.35 122.25 3.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 64.7 m -65.7 127.62 32.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.861 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 31.9 m -101.49 134.68 44.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.697 ' HE3' HD12 ' A' ' 1' ' ' LEU . 75.3 mmtt -149.36 147.52 28.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.522 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 39.4 m95 -65.43 141.57 98.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.645 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HG3' HG23 ' A' ' 18' ' ' ILE . 11.7 Cg_exo -69.57 34.11 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.895 2.397 . . . . 0.0 112.19 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.488 ' H ' ' C ' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -161.01 25.49 0.14 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.522 ' ND2' ' HB2' ' A' ' 32' ' ' TRP . 5.3 m120 -81.39 49.92 1.37 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.71 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.592 ' N ' HD22 ' A' ' 1' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -60.35 -54.21 48.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.377 0.608 . . . . 0.0 110.201 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -72.0 145.72 48.16 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.903 178.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -63.7 71.81 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.267 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 3' ' ' CYS . . . 152.14 -53.83 0.47 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 29' ' ' CYS . . . -168.43 141.71 6.96 Favored Glycine 0 C--O 1.223 -0.561 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.484 ' H ' HD12 ' A' ' 1' ' ' LEU . 16.4 m -51.29 137.04 23.73 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 117.021 0.411 . . . . 0.0 110.639 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 1.7 m -53.47 142.56 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.032 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.949 ' CD2' ' SG ' ' A' ' 13' ' ' CYS . 19.9 m170 -63.34 80.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.44 ' C ' ' H ' ' A' ' 12' ' ' GLY . 12.4 m-30 -62.41 68.42 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.541 0.337 . . . . 0.0 110.707 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' HIS . . . 74.95 -44.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 10' ' ' PHE . . . -167.08 101.87 0.18 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.949 ' SG ' ' CD2' ' A' ' 9' ' ' HIS . 78.4 m -46.71 148.86 1.63 Allowed Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.518 0.199 . . . . 0.0 110.603 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -34.05 -31.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.653 2.902 . . . . 0.0 113.614 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' CYS . 30.9 t -163.19 51.79 0.17 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 12.8 t-160 43.99 47.46 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.435 0.636 . . . . 0.0 109.483 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.559 ' HB3' ' C ' ' A' ' 31' ' ' LYS . 12.9 mt -55.04 142.64 29.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.017 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.1 pt -49.01 127.78 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 35.1 ttpt -69.79 137.56 51.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.748 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG11 ' HE3' ' A' ' 31' ' ' LYS . 11.8 m -145.92 52.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.291 0.567 . . . . 0.0 110.621 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.26 -158.41 22.05 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 39.5 t -169.5 143.84 2.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.692 0.758 . . . . 0.0 111.753 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -95.26 -52.88 3.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.49 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.546 ' CE1' ' HD2' ' A' ' 27' ' ' ARG . 5.9 p90 175.62 144.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.814 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.65 -142.63 44.15 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -80.79 0.71 33.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 54.1 mtt-85 -75.38 52.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.994 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -59.12 140.42 55.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 6' ' ' GLY . 73.6 m -62.69 142.47 58.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.643 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 31.7 p -153.39 156.39 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.108 0.48 . . . . 0.0 111.798 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.559 ' C ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -163.13 144.6 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.082 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.438 ' HB3' ' NE1' ' A' ' 34' ' ' TRP . 48.1 m95 -49.56 141.14 13.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.673 0.273 . . . . 0.0 110.628 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.48 -47.5 24.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.187 1.924 . . . . 0.0 111.554 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.438 ' NE1' ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -76.86 -10.53 59.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.956 179.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t30 56.2 59.61 3.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.236 0.541 . . . . 0.0 110.748 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.819 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 1.02 HD22 ' HB2' ' A' ' 29' ' ' CYS . 1.4 tm? . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 121.095 0.474 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.45 ' H ' ' HD1' ' A' ' 2' ' ' PHE . 7.7 m-85 -57.92 -23.94 55.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.937 0.875 . . . . 0.0 108.933 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 38.2 m -55.36 -27.83 49.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.815 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' N ' ' CD1' ' A' ' 1' ' ' LEU . 43.7 tptt 179.97 48.12 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.13 0.491 . . . . 0.0 112.121 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 39.99 37.6 1.05 Allowed Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.927 -0.579 . . . . 0.0 114.311 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.646 ' N ' ' HB3' ' A' ' 1' ' ' LEU . . . -98.29 -116.23 3.59 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.553 -0.356 . . . . 0.0 112.558 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.81 ' O ' HD23 ' A' ' 1' ' ' LEU . 48.6 m -136.41 174.01 11.08 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 110.649 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.705 ' SG ' ' N ' ' A' ' 1' ' ' LEU . 63.7 m -135.66 142.07 45.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.024 -0.423 . . . . 0.0 110.668 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.821 ' CG ' ' SG ' ' A' ' 13' ' ' CYS . 8.5 m-70 -62.68 68.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.628 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.636 ' CD1' ' HD3' ' A' ' 27' ' ' ARG . 5.3 m-85 -80.72 43.58 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.68 34.55 56.48 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.395 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.15 68.48 0.01 OUTLIER Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.288 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.821 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 62.5 m -57.15 138.45 80.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 117.502 0.651 . . . . 0.0 110.007 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -35.4 -34.42 0.11 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.682 2.921 . . . . 0.0 113.812 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -171.16 -148.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 16' ' ' HIS . 13.3 t-160 -74.31 55.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.479 . . . . 0.0 110.479 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 32' ' ' TRP . 18.9 mt -74.96 129.8 38.27 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.852 HG23 ' HG3' ' A' ' 33' ' ' PRO . 23.5 pt -73.87 137.09 23.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.661 0.267 . . . . 0.0 110.39 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 3.8 ttpm? -69.62 91.24 0.59 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.87 HG13 ' SG ' ' A' ' 29' ' ' CYS . 9.9 p -73.98 -21.49 18.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.823 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.638 ' N ' ' SG ' ' A' ' 29' ' ' CYS . . . 175.74 -140.02 4.95 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.91 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 m -125.41 141.17 52.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.174 0.511 . . . . 0.0 111.02 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.1 t -100.0 -42.85 6.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.18 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -165.05 62.93 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.382 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.28 -121.69 9.2 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.749 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -37.6 -46.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.739 0.304 . . . . 0.0 111.19 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.636 ' HD3' ' CD1' ' A' ' 10' ' ' PHE . 30.3 mtt-85 -67.26 81.94 0.14 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.303 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.431 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . 19.7 m -60.12 132.05 52.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.02 ' HB2' HD22 ' A' ' 1' ' ' LEU . 15.4 p -68.75 124.06 22.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.64 ' N ' HD23 ' A' ' 1' ' ' LEU . 31.1 p -128.8 139.02 52.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HB3' ' HA3' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -148.34 150.33 33.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.009 178.376 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.635 ' N ' HD22 ' A' ' 17' ' ' LEU . 27.5 m95 -48.27 132.54 12.81 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.339 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.852 ' HG3' HG23 ' A' ' 18' ' ' ILE . 42.2 Cg_exo -55.69 -39.99 87.87 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.057 1.838 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 33' ' ' PRO . 6.4 m-90 -90.16 25.09 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.447 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -57.16 -33.93 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.855 179.696 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 31' ' ' LYS . 19.1 tp . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 121.085 0.469 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.441 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 3.4 m-85 -43.56 144.8 0.71 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.942 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' LYS . 36.3 t -76.3 -151.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 34.5 ttpt 61.35 51.37 4.25 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.355 0.598 . . . . 0.0 110.641 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.96 -42.93 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.61 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.44 -142.96 0.62 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.086 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.564 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 17.5 t -118.96 128.09 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.189 0.518 . . . . 0.0 110.663 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.696 ' HB3' ' HB3' ' A' ' 27' ' ' ARG . 56.7 m -79.96 54.71 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.586 0.708 . . . . 0.0 110.524 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.673 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 3.3 m170 36.67 53.14 1.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.969 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -81.31 30.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 151.08 -140.19 7.71 Favored Glycine 0 N--CA 1.441 -1.008 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.183 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.42 1.76 88.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.267 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 9' ' ' HIS . 1.3 m 63.12 160.44 0.12 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -36.3 -38.05 0.29 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.523 2.815 . . . . 0.0 113.771 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 t -167.63 60.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.356 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.0 m170 49.19 39.56 15.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.215 0.531 . . . . 0.0 110.276 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 19.4 mt -56.25 136.93 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.724 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.0 138.23 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.859 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.75 97.82 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 p -74.39 -26.84 20.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 109.765 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.09 -139.66 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.26 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.412 ' HA ' ' H ' ' A' ' 29' ' ' CYS . 12.6 m -156.23 141.29 17.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.265 0.532 . . . . 0.0 111.041 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 60.1 m -90.82 -133.07 0.11 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.265 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' PHE . 32.3 m-85 -84.77 162.72 19.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 112.757 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.18 -74.12 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.234 -1.348 . . . . 0.0 114.017 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -169.15 25.98 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.554 . . . . 0.0 110.215 -179.065 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.696 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . 37.4 mmt180 -79.05 132.35 36.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.289 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' HB3' ' ND1' ' A' ' 9' ' ' HIS . 2.0 t -90.38 117.38 29.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.723 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' VAL . 19.9 t -73.58 116.57 14.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.673 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 15.7 p -102.89 147.06 27.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.127 0.489 . . . . 0.0 112.094 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.631 ' HB3' HD21 ' A' ' 1' ' ' LEU . 32.3 mmtp -142.71 141.97 31.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.107 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.538 ' HA ' HD22 ' A' ' 17' ' ' LEU . 68.2 m95 -51.72 129.03 36.1 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.562 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.7 -39.48 38.19 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.777 2.318 . . . . 0.0 111.743 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -53.69 -37.16 62.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.575 ' O ' HD22 ' A' ' 1' ' ' LEU . 9.6 m120 -92.48 37.24 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.673 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.201 179.892 . . . . . . . . 0 0 . 1 stop_ save_