data_1mm0_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 1mm0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.728 0.299 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 38.3 t80 -61.56 -53.03 61.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.629 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -61.55 -45.68 93.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.432 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -63.33 -42.6 98.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.374 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.9 t -64.1 -44.47 92.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.044 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.636 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 56.3 t-105 -56.93 -49.48 75.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.393 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -59.77 -45.43 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.4 m -62.09 -48.85 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.069 0.462 . . . . 0.0 111.254 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.9 m -65.28 -43.41 91.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.821 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -66.95 -39.09 87.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.616 0.246 . . . . 0.0 111.472 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -61.46 -47.14 87.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.758 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.64 -53.59 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -72.63 139.31 47.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.712 0.292 . . . . 0.0 111.276 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -84.81 -133.46 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 0.0 112.153 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 pt -74.59 1.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.539 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -96.67 -4.28 41.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.459 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.73 126.4 29.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.515 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -97.96 -76.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -144.07 174.42 10.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.203 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.636 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . . . -141.47 145.65 35.5 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 4.5 p90 -165.53 -179.59 5.54 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.68 113.72 25.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 28.6 t70 -97.38 115.0 26.9 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 65.1 -86.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.999 0.812 . . . . 0.0 109.28 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 p -151.01 30.07 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.675 0.75 . . . . 0.0 109.159 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -137.07 147.53 46.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.585 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.94 122.56 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -117.49 125.98 51.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.008 0.432 . . . . 0.0 110.915 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.6 m -99.92 133.16 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.9 t -108.79 130.23 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -160.96 150.92 17.43 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.316 -0.867 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.105 179.418 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.454 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 14.9 t-20 . . . . . 0 C--O 1.226 -0.144 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.42 -57.25 13.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -60.51 -39.99 89.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 43.3 t -65.89 -44.81 84.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -59.92 -42.77 94.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.174 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.705 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.53 -48.97 76.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.87 97.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.191 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -59.45 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.6 m -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -65.1 -40.33 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.334 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.63 57.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.516 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -51.84 37.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 76.3 m-70 -82.59 136.47 34.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 111.653 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -79.06 -136.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.866 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.1 pt -72.48 2.15 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -95.88 -3.74 44.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.411 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 47.0 t80 -66.91 126.42 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.582 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.0 -75.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.661 ' HG3' HG22 ' A' ' 32' ' ' VAL . 35.0 ptt180 -143.37 174.36 10.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.909 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.705 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . . . -142.28 144.69 33.4 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -157.94 158.89 35.84 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.134 0.492 . . . . 0.0 110.769 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -97.69 117.74 32.66 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.797 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.93 119.62 39.97 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 62.92 -87.87 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.805 0.691 . . . . 0.0 110.085 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -150.42 32.68 0.64 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -139.1 134.12 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.553 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.17 121.72 22.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -110.28 125.91 53.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -100.83 134.81 43.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.627 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.661 HG22 ' HG3' ' A' ' 21' ' ' ARG . 15.4 t -107.77 129.98 60.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.77 157.42 18.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.951 0.405 . . . . 0.0 111.13 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.415 ' H ' HG21 ' A' ' 34' ' ' VAL . 4.8 m . . . . . 0 C--N 1.318 -0.79 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.307 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.0 t-20 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -61.96 -50.35 72.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.112 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -60.78 -46.7 89.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 110.23 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 39.9 t -61.87 -43.22 99.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.081 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 t -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.904 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.517 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 59.4 t-105 -58.54 -47.64 83.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.139 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.285 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.2 m -63.8 -51.3 65.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 22' ' ' ALA . 73.2 m -61.42 -39.12 89.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.317 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.61 -40.23 84.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -39.46 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.079 0.466 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -72.05 -54.8 8.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.666 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 92.8 m-70 -87.05 138.57 31.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -82.26 -130.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.147 0.499 . . . . 0.0 112.133 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.2 pt -71.25 -0.29 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.766 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.433 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 6.9 m-85 -96.35 -7.34 35.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 45.5 t80 -64.24 125.84 25.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.158 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.557 HH21 HG11 ' A' ' 34' ' ' VAL . 23.2 tpp180 -100.34 -75.56 0.57 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.569 ' HG3' HG21 ' A' ' 32' ' ' VAL . 31.6 ptt180 -142.79 175.73 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.967 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.536 ' HB3' ' SG ' ' A' ' 11' ' ' CYS . . . -141.95 146.6 35.83 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 9.8 p90 -162.62 164.28 26.73 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 123.221 0.326 . . . . 0.0 110.304 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -97.93 120.4 38.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.223 0.535 . . . . 0.0 109.855 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.466 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 52.9 t0 -109.1 131.42 55.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 64.03 -95.18 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 p -150.54 31.3 0.65 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.469 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 t -69.3 129.77 40.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -117.92 127.31 53.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.943 0.401 . . . . 0.0 110.138 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.1 m -102.31 135.34 44.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.353 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG21 ' HG3' ' A' ' 21' ' ' ARG . 16.5 t -110.42 133.63 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -158.67 157.72 32.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.273 0.559 . . . . 0.0 111.617 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG11 HH21 ' A' ' 20' ' ' ARG . 6.8 m . . . . . 0 C--N 1.315 -0.893 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.393 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.505 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 29.5 t-20 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.65 -49.12 75.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.917 0.389 . . . . 0.0 111.104 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -66.83 -43.93 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.823 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 85.7 p -64.94 -43.66 92.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.174 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.35 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.033 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 61.6 t-105 -56.82 -47.29 80.64 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.142 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.35 96.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.867 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -62.04 -50.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.77 -39.55 94.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.083 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -65.45 -37.49 87.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.96 -44.31 27.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.071 0.462 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.5 -49.74 72.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.91 140.03 30.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.434 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -78.04 -137.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.369 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.534 HG13 ' CD1' ' A' ' 18' ' ' TYR . 39.7 pt -68.97 -3.52 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.534 ' CD1' HG13 ' A' ' 17' ' ' ILE . 3.2 m-85 -98.0 9.46 42.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.823 0.344 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -68.8 125.42 26.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.766 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -99.65 -76.04 0.55 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.502 ' HG3' HG23 ' A' ' 32' ' ' VAL . 28.8 ptt180 -142.43 169.79 16.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.939 0.399 . . . . 0.0 110.446 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.18 147.86 37.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.406 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -161.9 160.74 28.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.805 0.336 . . . . 0.0 110.41 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -97.81 114.51 26.56 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -99.31 118.21 35.46 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 64.4 -86.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.791 0.682 . . . . 0.0 110.246 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -151.59 32.85 0.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -140.49 138.43 34.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.647 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.1 t -70.5 127.74 33.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 1.5 tpmt? -118.94 121.6 40.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.0 110.362 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.24 135.05 43.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.11 0.481 . . . . 0.0 111.466 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG23 ' HG3' ' A' ' 21' ' ' ARG . 21.2 t -113.77 128.21 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -160.1 153.7 22.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.218 0.532 . . . . 0.0 111.462 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.889 178.485 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.621 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 21.3 t-20 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.039 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -63.65 -43.28 97.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.621 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 51.9 m -62.84 -40.79 98.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.125 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.65 -43.17 94.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.576 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 54.1 t-105 -57.48 -48.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.231 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.124 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.0 m -62.52 -50.07 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.364 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 92.3 m -64.03 -41.52 97.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.392 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.48 -35.29 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.972 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.33 78.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -77.32 -48.24 17.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.558 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.641 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 55.7 m-70 -99.69 50.65 0.92 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -56.24 -59.87 4.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG13 ' HD1' ' A' ' 18' ' ' TYR . 23.2 pt -63.01 -32.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -176.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.404 ' HD1' HG13 ' A' ' 17' ' ' ILE . 35.0 m-85 -122.85 33.91 5.28 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.619 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.641 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 41.7 t80 -68.88 131.5 45.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.576 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.5 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.3 tpm_? -107.03 -81.34 0.56 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 38.9 ptt180 -143.55 168.12 20.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.049 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.576 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.76 148.35 38.83 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -165.7 172.74 11.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.737 0.303 . . . . 0.0 110.768 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.4 t -97.41 123.02 41.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -108.55 114.03 27.53 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 65.76 -84.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.752 0.658 . . . . 0.0 110.008 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 28.38 0.73 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -139.49 145.85 39.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 t -70.41 124.49 24.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.345 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -111.69 124.45 52.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.928 0.394 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.58 132.7 44.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.741 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 21' ' ' ARG . 24.6 t -115.64 131.23 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -155.55 150.57 26.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.781 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 m . . . . . 0 C--N 1.318 -0.776 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.998 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.403 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 47.9 t30 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 32.7 t80 -56.12 -48.54 76.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.93 -44.94 94.69 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.403 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 74.6 p -66.27 -43.42 86.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.383 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.91 -44.55 97.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.431 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.601 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.26 -48.91 75.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.5 97.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.152 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -61.14 -50.38 73.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.5 m -64.51 -39.24 93.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.67 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.262 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.73 -52.42 17.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.24 -50.94 62.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.196 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -81.04 130.72 35.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.718 0.294 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -78.23 -132.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.203 0.525 . . . . 0.0 111.412 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.424 HG13 ' CD1' ' A' ' 18' ' ' TYR . 28.4 pt -70.71 -2.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.395 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.468 ' CD2' HG23 ' A' ' 34' ' ' VAL . 5.5 m-85 -97.43 4.15 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.252 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.47 124.22 23.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.271 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.16 -74.11 0.6 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.511 ' HG3' HG21 ' A' ' 32' ' ' VAL . 38.7 ptt180 -143.84 171.73 13.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.871 0.367 . . . . 0.0 110.477 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.601 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.62 154.27 45.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.17 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.43 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 25.8 p90 -167.26 162.96 15.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -97.57 115.37 27.73 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.409 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 59.3 t0 -98.05 109.53 22.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.801 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 65.25 -84.59 0.03 OUTLIER 'General case' 0 C--O 1.23 0.066 0 O-C-N 123.956 0.785 . . . . 0.0 110.074 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -150.36 32.05 0.66 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -138.74 134.58 33.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.275 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.57 118.84 13.88 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -108.59 122.41 47.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.2 133.75 44.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.326 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.511 HG21 ' HG3' ' A' ' 21' ' ' ARG . 18.0 t -108.13 131.35 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -163.75 156.55 18.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.312 0.577 . . . . 0.0 111.496 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 18' ' ' TYR . 5.4 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.734 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.571 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.9 t-20 . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.21 -52.91 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.777 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.76 -41.2 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.571 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 32.2 t -62.7 -43.0 99.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.757 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.44 -48.17 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.159 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.563 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.4 -49.3 74.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.02 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.398 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.2 m -60.96 -50.18 74.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.5 m -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.419 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -65.86 -38.95 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.75 66.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -51.71 34.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.033 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.539 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -88.8 123.51 33.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.546 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -82.0 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 0.0 111.718 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 pt -68.2 -1.13 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.773 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.4 -15.96 20.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 65.0 t80 -64.01 130.51 44.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.695 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 22.9 tpp180 -107.72 -71.69 0.75 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' HG3' HG22 ' A' ' 32' ' ' VAL . 31.3 ptt180 -143.35 170.03 16.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.777 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 145.48 34.6 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -163.69 162.85 24.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.15 125.33 43.12 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.014 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -107.41 125.41 51.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 65.09 -93.11 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 m -150.64 34.47 0.62 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -140.29 137.74 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.908 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.05 131.63 46.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.096 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -118.33 123.23 44.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.892 0.377 . . . . 0.0 110.127 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 78.9 m -101.45 134.08 45.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.516 HG22 ' HG3' ' A' ' 21' ' ' ARG . 23.4 t -110.29 132.07 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -159.94 162.91 34.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.102 0.477 . . . . 0.0 111.169 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 34' ' ' VAL . 5.5 m . . . . . 0 C--N 1.315 -0.911 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.511 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.4 t-20 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.584 0.231 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -64.53 -52.66 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.44 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -59.8 -42.26 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.557 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 28.8 t -65.29 -42.7 92.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.64 -48.07 78.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.935 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.592 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 53.8 t-105 -57.62 -47.01 83.4 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.766 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.92 -46.24 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.277 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.2 m -62.47 -48.37 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.63 -40.44 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.49 -42.39 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.65 87.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.209 0.528 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.071 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 86.6 m-70 -92.56 126.02 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 111.661 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.3 -120.53 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.432 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.541 HG13 ' CD1' ' A' ' 18' ' ' TYR . 27.5 pt -66.57 -8.98 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.541 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.7 m-85 -97.4 -1.05 45.21 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.549 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.5 t80 -71.42 122.38 20.27 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.048 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -99.83 -71.97 0.68 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.668 ' HG3' HG23 ' A' ' 32' ' ' VAL . 35.5 ptt180 -143.31 171.71 13.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 8' ' ' TRP . . . -142.13 148.05 37.67 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 21.9 p90 -166.69 167.47 15.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.98 116.87 31.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.457 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 9.4 t70 -99.59 115.35 29.18 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 64.78 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.822 0.701 . . . . 0.0 110.163 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -150.59 29.84 0.68 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.338 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -137.28 140.75 41.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.632 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 t -72.02 126.26 29.31 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -115.43 123.44 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.981 0.42 . . . . 0.0 110.554 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.45 133.57 43.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.355 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.668 HG23 ' HG3' ' A' ' 21' ' ' ARG . 21.6 t -108.65 123.19 64.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -154.58 150.96 28.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.5 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 11.4 m . . . . . 0 C--N 1.315 -0.925 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.022 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.569 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.1 t-20 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.01 -56.88 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -60.22 -40.82 91.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.905 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.569 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 48.4 t -60.34 -45.57 92.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.15 -46.48 87.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.063 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.563 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 65.5 t-105 -54.77 -50.25 68.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.241 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.52 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.16 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.7 m -59.71 -48.89 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.342 0.592 . . . . 0.0 110.526 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.25 -37.75 75.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -65.87 -40.65 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.599 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.25 58.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.61 -54.59 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -76.27 136.14 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.305 0.574 . . . . 0.0 111.437 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -83.29 -134.98 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.35 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.3 pt -69.31 2.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 120.909 0.385 . . . . 0.0 112.006 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -97.39 -3.89 39.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.059 0.457 . . . . 0.0 109.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.89 124.73 24.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.082 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 -99.74 -76.44 0.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.499 ' HG3' HG21 ' A' ' 32' ' ' VAL . 38.6 ptt180 -143.33 172.35 12.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.318 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.46 148.11 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.975 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -164.1 165.05 22.64 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.1 t -97.24 123.9 41.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.213 0.53 . . . . 0.0 109.893 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.93 120.0 41.09 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.852 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 67.24 -87.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.797 0.685 . . . . 0.0 110.106 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.7 t -150.55 27.34 0.74 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -139.98 151.2 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.402 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.76 128.44 35.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.848 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 30' ' ' LYS . 14.4 tppt? -113.67 119.37 37.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -100.39 133.68 44.46 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.177 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.499 HG21 ' HG3' ' A' ' 21' ' ' ARG . 17.7 t -107.06 124.17 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -160.77 152.19 19.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.322 0.582 . . . . 0.0 110.816 179.144 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.618 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 20.9 t-20 . . . . . 0 N--CA 1.46 0.037 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.71 -55.03 30.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -60.46 -46.35 90.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.773 0.32 . . . . 0.0 110.214 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 52.4 m -59.49 -42.69 92.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -67.33 -47.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.376 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.673 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 55.2 t-105 -57.23 -48.44 78.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.302 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.61 95.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.281 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -63.13 -52.45 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.92 -39.31 94.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.487 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.82 -41.28 87.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.671 0.272 . . . . 0.0 111.628 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.78 61.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.872 0.367 . . . . 0.0 111.55 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -69.07 -47.89 64.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.974 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -79.75 143.52 34.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -81.71 -139.86 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.871 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.489 HG13 ' CD1' ' A' ' 18' ' ' TYR . 35.6 pt -71.21 -1.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.489 ' CD1' HG13 ' A' ' 17' ' ' ILE . 5.5 m-85 -98.75 15.3 25.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 110.771 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -76.13 127.81 33.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.647 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -99.03 -78.99 0.49 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HG3' HG23 ' A' ' 32' ' ' VAL . 40.2 ptt180 -142.93 173.89 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 110.566 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.91 142.13 33.03 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -160.15 172.51 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.6 118.29 33.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.535 0.683 . . . . 0.0 110.337 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.1 t70 -106.44 117.06 33.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.329 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 65.21 -86.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.758 0.661 . . . . 0.0 110.012 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -150.86 29.66 0.66 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.555 0.693 . . . . 0.0 109.343 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 17.9 pt20 -137.48 150.14 47.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.908 -178.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.44 120.54 21.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -108.11 123.89 49.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.926 0.393 . . . . 0.0 110.157 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.3 132.55 44.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.688 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 21' ' ' ARG . 17.4 t -109.78 127.6 66.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -159.37 151.6 21.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.142 0.496 . . . . 0.0 111.186 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.435 ' H ' HG22 ' A' ' 34' ' ' VAL . 5.3 m . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.146 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.66 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.3 t-20 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.613 0.244 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.15 -52.26 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.403 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -58.93 -45.19 91.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 110.285 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.66 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 49.5 m -63.17 -44.76 94.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.821 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -61.87 -45.63 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.331 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.534 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 56.8 t-105 -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.047 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.934 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -60.02 -48.05 83.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 111.132 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 74.3 m -68.44 -42.01 79.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.023 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.79 -33.02 71.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.656 0.265 . . . . 0.0 111.696 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.883 0.373 . . . . 0.0 110.68 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 -55.07 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.345 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -83.76 120.46 26.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.317 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.8 m -89.24 -107.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' A' ' 18' ' ' TYR . 24.4 pt -73.09 -9.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.47 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.5 m-85 -97.75 3.67 50.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.116 0.484 . . . . 0.0 109.954 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -77.1 127.43 32.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.765 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' HG12 ' A' ' 32' ' ' VAL . 25.1 tpp180 -98.91 -79.55 0.48 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.57 ' HG3' HG21 ' A' ' 32' ' ' VAL . 30.8 ptt180 -143.29 178.23 7.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.783 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.97 148.08 38.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 11.8 p90 -165.49 166.73 18.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.23 118.34 33.46 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.341 0.591 . . . . 0.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 66.1 t0 -99.97 116.49 32.15 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 65.2 -86.86 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.825 0.703 . . . . 0.0 110.062 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 p -151.25 30.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.76 0.791 . . . . 0.0 108.999 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.51 141.61 41.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.102 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.52 125.15 25.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -113.41 124.22 51.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 0.0 110.455 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.14 131.93 46.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG21 ' HG3' ' A' ' 21' ' ' ARG . 14.6 t -105.12 129.61 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -158.87 155.15 27.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 110.946 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.315 -0.9 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.804 179.243 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.5 t30 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -52.03 -54.97 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.98 -41.81 99.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.214 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -63.8 -45.23 90.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.105 0.479 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.49 -43.63 93.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.725 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 58.8 t-105 -57.39 -48.11 79.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.93 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -64.93 -52.94 53.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.803 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 72.2 m -64.34 -40.12 95.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.896 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.88 -37.9 89.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.922 0.392 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.65 -46.04 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.171 0.51 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.1 -51.88 58.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.845 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.521 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -93.68 130.41 39.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.796 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -77.48 -130.02 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.24 2.52 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -97.4 -10.13 26.06 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.9 t80 -64.68 126.32 27.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.204 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.535 HH21 HG12 ' A' ' 34' ' ' VAL . 22.0 tpp180 -99.0 -74.41 0.59 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -143.27 169.77 17.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.725 ' HB1' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.22 35.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -160.16 165.66 31.22 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.699 0.285 . . . . 0.0 110.603 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.27 113.63 25.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.219 0.533 . . . . 0.0 110.088 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -99.23 112.84 24.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 63.43 -87.62 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 O-C-N 123.78 0.675 . . . . 0.0 110.07 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.8 t -150.94 33.21 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -139.36 131.17 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.142 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.52 124.4 22.69 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.042 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -111.64 122.98 49.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.882 0.372 . . . . 0.0 110.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.2 m -103.33 133.24 48.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.572 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.56 131.22 62.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -164.26 155.39 15.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.09 0.471 . . . . 0.0 111.328 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.535 HG12 HH21 ' A' ' 20' ' ' ARG . 6.1 m . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.61 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.588 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 2.0 t-20 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.46 -51.84 65.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.608 0.242 . . . . 0.0 111.057 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -58.86 -41.84 87.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.588 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 19.5 p -66.72 -45.17 79.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.246 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.49 -46.14 89.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 53.9 t-105 -57.71 -47.48 82.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.212 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.24 97.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.193 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 47.5 m -62.75 -50.6 70.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 22' ' ' ALA . 72.0 m -61.74 -40.69 95.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.567 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -37.33 85.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.09 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.12 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 10' ' ' THR . 89.9 mt-30 -66.11 -40.32 90.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.965 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.458 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 93.3 m-70 -107.05 129.07 54.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.91 0.386 . . . . 0.0 111.705 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -79.93 -121.81 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.692 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -70.35 -1.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.721 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -97.76 -7.61 30.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.393 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.458 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.0 t80 -67.78 124.86 24.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -99.73 -77.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.662 ' HG3' HG23 ' A' ' 32' ' ' VAL . 17.3 ptt180 -143.99 -178.02 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.017 178.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -142.32 153.18 43.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.34 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.421 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -166.71 163.66 16.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.141 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.18 120.47 38.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 62.2 t0 -99.15 111.48 23.86 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 66.6 -85.48 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.146 0 O-C-N 123.845 0.716 . . . . 0.0 109.861 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 t -150.66 33.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -139.69 134.0 31.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.944 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.1 t -65.52 124.68 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -116.48 124.13 49.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.01 0.433 . . . . 0.0 110.038 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.3 m -99.44 134.95 41.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.343 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.662 HG23 ' HG3' ' A' ' 21' ' ' ARG . 15.5 t -102.4 129.53 53.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.92 153.91 28.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.377 0.608 . . . . 0.0 111.797 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 34' ' ' VAL . 6.1 m . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.15 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.415 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 56.4 t30 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.9 -56.02 25.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.91 -41.17 91.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 111.096 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.415 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 24.1 m -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 t -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.037 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.64 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 59.6 t-105 -56.78 -48.24 78.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.098 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.87 99.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.433 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -63.12 -50.46 70.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -63.72 -42.04 97.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.67 70.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.899 0.38 . . . . 0.0 111.315 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.46 -52.28 10.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.003 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -78.61 137.61 37.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -80.17 -129.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.84 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.4 pt -77.56 2.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -98.1 0.89 46.94 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -68.34 125.18 25.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.798 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.7 tpm_? -99.55 -75.22 0.57 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.988 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.601 ' HG3' HG22 ' A' ' 32' ' ' VAL . 20.6 ptt180 -143.46 170.18 16.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . . . -141.48 145.02 34.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -163.32 171.91 15.43 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.2 117.83 33.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.228 0.537 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -99.38 107.89 20.25 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 67.51 -84.74 0.03 OUTLIER 'General case' 0 C--O 1.231 0.094 0 O-C-N 123.919 0.762 . . . . 0.0 109.746 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -150.39 31.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.717 0.77 . . . . 0.0 109.228 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.82 139.26 44.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.116 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 t -71.15 119.7 15.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -109.45 125.71 52.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.913 0.387 . . . . 0.0 110.658 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.4 m -102.43 133.52 47.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.184 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.601 HG22 ' HG3' ' A' ' 21' ' ' ARG . 19.3 t -111.53 133.37 57.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -155.42 151.37 27.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.935 0.398 . . . . 0.0 111.089 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' H ' HG21 ' A' ' 34' ' ' VAL . 10.5 m . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.885 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.7 t30 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -58.89 -54.85 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.954 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -58.65 -39.5 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 t -62.84 -46.82 86.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.106 0.479 . . . . 0.0 109.974 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.29 -45.7 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.613 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.562 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 57.0 t-105 -57.43 -49.93 74.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -43.47 96.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.367 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -60.49 -46.7 89.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.028 0.442 . . . . 0.0 111.429 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 85.7 m -70.53 -37.8 74.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.2 -41.54 94.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.779 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.44 76.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.734 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -70.33 -52.22 24.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.0 m-70 -83.02 135.46 34.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.955 0.407 . . . . 0.0 111.896 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -83.45 -132.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.0 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG13 ' CD1' ' A' ' 18' ' ' TYR . 38.7 pt -68.79 -1.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.174 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.429 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 5.8 m-85 -97.64 -3.09 40.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.031 0.443 . . . . 0.0 109.822 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 46.6 t80 -68.94 124.16 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.484 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -100.48 -74.61 0.6 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.854 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.563 ' HG3' HG23 ' A' ' 32' ' ' VAL . 36.3 ptt180 -143.11 176.25 9.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.88 141.81 33.06 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 13.4 p90 -156.22 162.8 40.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.828 0.346 . . . . 0.0 110.257 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.77 120.53 38.32 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.543 0.687 . . . . 0.0 109.528 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.41 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 6.3 t70 -99.15 115.01 28.08 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 66.4 -85.92 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.964 0.79 . . . . 0.0 109.626 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 p -150.93 32.69 0.6 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -140.13 138.48 35.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.426 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.31 126.83 30.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -116.97 126.77 53.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.4 m -99.58 135.3 41.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.563 HG23 ' HG3' ' A' ' 21' ' ' ARG . 17.6 t -109.52 125.96 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -151.4 149.64 29.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.223 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.429 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 9.5 m . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.439 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -55.66 -55.55 30.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -61.83 -44.47 96.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.762 0.315 . . . . 0.0 111.416 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -62.89 -43.86 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -64.0 -45.17 90.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.542 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.669 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 53.2 t-105 -57.03 -46.49 82.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.31 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' O ' ' HB1' ' A' ' 13' ' ' ALA . . . -61.79 -45.39 94.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.887 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 m -61.6 -52.45 64.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.539 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.6 m -63.09 -41.39 99.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.822 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -67.27 -42.75 83.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.33 . . . . 0.0 111.597 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 9' ' ' ALA . . . -69.95 -36.42 75.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -50.76 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -82.32 138.77 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.3 p -76.16 -135.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.142 0.496 . . . . 0.0 112.11 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 pt -73.73 2.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.737 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -96.79 -1.52 46.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.921 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.25 127.6 32.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.315 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' HG12 ' A' ' 32' ' ' VAL . 22.9 tpp180 -99.2 -78.41 0.5 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.524 ' HG3' HG22 ' A' ' 32' ' ' VAL . 32.8 ptt180 -143.02 174.02 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.153 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.669 ' HB1' ' HA ' ' A' ' 8' ' ' TRP . . . -142.69 149.5 38.91 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -164.32 167.9 19.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.858 0.361 . . . . 0.0 110.765 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.48 111.85 23.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.124 0.487 . . . . 0.0 110.255 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -100.31 110.03 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 64.03 -86.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.783 0.677 . . . . 0.0 110.733 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -149.75 34.03 0.69 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -140.53 139.22 35.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.287 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -73.86 118.65 17.06 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -103.2 122.14 44.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.891 0.377 . . . . 0.0 110.214 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.0 m -101.65 130.08 47.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.472 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 21' ' ' ARG . 17.9 t -109.3 132.36 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -159.53 156.19 27.72 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.415 ' H ' HG22 ' A' ' 34' ' ' VAL . 6.8 m . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.66 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.691 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.5 t-20 . . . . . 0 C--O 1.227 -0.109 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.491 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 12.4 t80 -59.66 -56.89 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.5 -43.87 97.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.541 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.691 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 47.5 m -62.42 -39.49 93.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.383 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 -43.03 91.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.79 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.924 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 56.1 t-105 -55.01 -49.72 70.81 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.86 99.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.313 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -61.22 -51.34 69.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.368 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -63.89 -40.92 97.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -66.45 -35.17 79.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.194 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.9 64.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.776 0.322 . . . . 0.0 111.479 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -70.61 -52.2 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.049 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -77.87 139.75 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.984 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -77.22 -136.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.366 0.603 . . . . 0.0 111.985 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.7 pt -76.53 5.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.234 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -97.39 -4.42 38.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.174 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.92 127.56 31.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.328 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -98.01 -77.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' HG3' HG23 ' A' ' 32' ' ' VAL . 34.5 ptt180 -142.94 170.68 15.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.802 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.924 ' HB1' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.1 35.32 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.491 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 22.2 p90 -162.17 163.21 28.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.64 115.28 28.32 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -104.24 125.09 50.22 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 61.09 -90.66 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.779 0.674 . . . . 0.0 109.822 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 p -150.22 34.44 0.65 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -139.27 137.92 36.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.282 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.7 t -74.66 122.42 23.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -111.96 128.37 56.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.552 . . . . 0.0 111.051 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.0 m -105.31 132.26 51.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.333 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG23 ' HG3' ' A' ' 21' ' ' ARG . 21.2 t -112.17 133.64 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -164.1 156.32 16.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 110.978 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.154 178.847 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.707 0.289 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 36.4 t80 -60.85 -50.78 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.642 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.7 -40.27 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.352 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -64.65 -48.03 76.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.11 -48.53 81.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.516 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.13 97.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.318 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.9 m -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.945 0.402 . . . . 0.0 110.951 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.0 m -64.78 -40.42 95.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.74 -38.81 90.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -76.67 -54.6 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.1 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 65.8 m-70 -88.22 127.59 35.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.46 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -89.93 -117.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.278 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.8 pt -68.28 -9.36 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.47 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.1 m-85 -95.82 -3.44 45.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.5 t80 -72.62 125.24 27.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.658 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HB3' HG11 ' A' ' 32' ' ' VAL . 17.7 tpp85 -99.3 -75.18 0.57 Allowed 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.628 ' HG3' HG22 ' A' ' 32' ' ' VAL . 26.7 ptt180 -142.86 178.48 7.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.916 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.516 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.77 149.0 39.86 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -163.68 160.96 23.31 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 123.426 0.454 . . . . 0.0 109.791 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.45 120.5 38.97 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.719 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.411 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 36.3 t70 -98.57 121.58 40.69 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 64.14 -89.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.662 0.601 . . . . 0.0 109.435 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.8 m -149.11 30.12 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -137.35 138.31 39.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.68 132.5 48.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.41 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -125.02 128.65 48.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -103.13 136.5 42.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.019 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.628 HG22 ' HG3' ' A' ' 21' ' ' ARG . 20.9 t -104.29 123.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -156.76 149.99 24.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 111.116 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.692 179.355 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.765 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 18.7 t-20 . . . . . 0 C--O 1.226 -0.134 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -59.88 -58.21 9.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -61.09 -44.74 96.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 0.0 110.339 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.765 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 73.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.21 -45.45 80.66 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.667 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 62.9 t-105 -54.98 -49.86 70.4 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.195 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.67 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.901 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 m -60.09 -51.87 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.339 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 74.2 m -63.72 -40.65 97.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -65.54 -38.43 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.831 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -46.71 59.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.898 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -84.59 141.17 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 0.0 112.063 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -79.53 -134.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.077 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.494 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.7 pt -74.68 -4.59 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.494 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.8 m-85 -98.87 16.04 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 0.0 110.658 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -75.35 127.07 32.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.559 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -99.59 -80.63 0.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.528 ' HG3' HG21 ' A' ' 32' ' ' VAL . 27.0 ptt180 -141.9 173.14 11.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.946 0.403 . . . . 0.0 110.586 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.667 ' HB1' ' HA ' ' A' ' 8' ' ' TRP . . . -142.54 148.96 38.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.527 -0.76 . . . . 0.0 108.991 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -159.08 165.2 34.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.733 0.301 . . . . 0.0 110.708 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.4 t -96.43 117.73 31.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -105.52 110.27 22.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 64.76 -85.87 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.674 0.609 . . . . 0.0 110.581 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.6 t -150.67 32.27 0.63 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -140.69 138.39 34.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.347 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.36 124.56 25.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -110.79 122.64 48.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.8 m -100.32 135.73 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.528 HG21 ' HG3' ' A' ' 21' ' ' ARG . 16.7 t -113.42 126.85 70.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.89 149.71 27.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.028 0.442 . . . . 0.0 111.224 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.417 ' H ' HG21 ' A' ' 34' ' ' VAL . 6.1 m . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.046 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.499 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 17.0 t-20 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.679 0.276 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -62.28 -48.79 78.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.997 0.427 . . . . 0.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.59 -41.26 98.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.499 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 72.7 p -65.42 -41.85 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.36 -45.18 92.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.654 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.5 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 57.2 t-105 -57.31 -45.75 83.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.14 92.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 m -61.28 -50.84 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.832 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 22' ' ' ALA . 87.7 m -61.1 -40.36 93.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.084 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -68.68 -32.12 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.051 0.453 . . . . 0.0 110.626 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -42.32 63.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 0.0 110.545 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -73.07 -45.61 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.636 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -97.7 127.89 43.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.977 0.417 . . . . 0.0 111.843 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -83.16 -123.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.605 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.486 HG13 ' CD1' ' A' ' 18' ' ' TYR . 32.5 pt -68.6 -3.81 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.486 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.1 m-85 -98.25 -0.68 43.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.836 0.35 . . . . 0.0 110.409 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.6 126.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.801 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -99.51 -80.55 0.47 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' HG3' HG21 ' A' ' 32' ' ' VAL . 30.7 ptt180 -143.04 178.51 7.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.828 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -142.25 151.59 42.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.046 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -167.86 160.11 12.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.779 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -97.36 123.48 41.2 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -99.7 114.81 28.15 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 67.03 -86.94 0.03 OUTLIER 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.823 0.702 . . . . 0.0 109.519 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 p -150.37 29.49 0.7 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.643 0.735 . . . . 0.0 109.436 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -134.21 139.01 45.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.954 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -117.76 123.84 46.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.4 m -102.05 134.32 45.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.865 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.504 HG21 ' HG3' ' A' ' 21' ' ' ARG . 12.9 t -106.09 129.93 58.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -160.04 156.63 27.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.317 -0.829 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.178 179.134 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 p -142.5 138.71 31.14 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -125.1 128.8 49.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.728 0.299 . . . . 0.0 110.535 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 38.3 t80 -61.56 -53.03 61.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.629 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -61.55 -45.68 93.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.432 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -63.33 -42.6 98.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.374 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.9 t -64.1 -44.47 92.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.044 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.636 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 56.3 t-105 -56.93 -49.48 75.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.393 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -59.77 -45.43 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.4 m -62.09 -48.85 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.069 0.462 . . . . 0.0 111.254 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.9 m -65.28 -43.41 91.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.821 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -66.95 -39.09 87.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.616 0.246 . . . . 0.0 111.472 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -61.46 -47.14 87.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.758 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.64 -53.59 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -72.63 139.31 47.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.712 0.292 . . . . 0.0 111.276 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -84.81 -133.46 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 0.0 112.153 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 pt -74.59 1.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.539 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -96.67 -4.28 41.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.459 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.73 126.4 29.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.515 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -97.96 -76.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -144.07 174.42 10.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.203 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.636 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . . . -141.47 145.65 35.5 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 4.5 p90 -165.53 -179.59 5.54 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.68 113.72 25.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 28.6 t70 -97.38 115.0 26.9 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 65.1 -86.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.999 0.812 . . . . 0.0 109.28 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 p -151.01 30.07 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.675 0.75 . . . . 0.0 109.159 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -137.07 147.53 46.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.585 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.94 122.56 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -117.49 125.98 51.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.008 0.432 . . . . 0.0 110.915 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.6 m -99.92 133.16 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.9 t -108.79 130.23 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -160.96 150.92 17.43 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 m -99.36 156.97 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.105 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -91.77 -40.88 10.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.165 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.328 -1.262 . . . . 0.0 111.368 179.884 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.823 0.344 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.5 t -152.87 127.26 9.26 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.454 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 14.9 t-20 -141.78 138.37 32.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.42 -57.25 13.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -60.51 -39.99 89.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 43.3 t -65.89 -44.81 84.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -59.92 -42.77 94.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.174 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.705 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.53 -48.97 76.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.87 97.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.191 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -59.45 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.6 m -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -65.1 -40.33 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.334 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.63 57.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.516 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -51.84 37.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 76.3 m-70 -82.59 136.47 34.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 111.653 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -79.06 -136.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.866 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.1 pt -72.48 2.15 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -95.88 -3.74 44.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 47.0 t80 -66.91 126.42 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.582 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.0 -75.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.661 ' HG3' HG22 ' A' ' 32' ' ' VAL . 35.0 ptt180 -143.37 174.36 10.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.909 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.705 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . . . -142.28 144.69 33.4 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -157.94 158.89 35.84 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.134 0.492 . . . . 0.0 110.769 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -97.69 117.74 32.66 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.797 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.93 119.62 39.97 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 62.92 -87.87 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.805 0.691 . . . . 0.0 110.085 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -150.42 32.68 0.64 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -139.1 134.12 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.553 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.17 121.72 22.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -110.28 125.91 53.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -100.83 134.81 43.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.627 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.661 HG22 ' HG3' ' A' ' 21' ' ' ARG . 15.4 t -107.77 129.98 60.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.77 157.42 18.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.951 0.405 . . . . 0.0 111.13 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.415 ' H ' HG21 ' A' ' 34' ' ' VAL . 4.8 m -98.51 157.45 3.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.307 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 4.0 mmp_? -139.47 47.46 1.87 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.913 -178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.427 -1.207 . . . . 0.0 111.609 179.475 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.81 0.338 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.1 p -151.18 142.75 23.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.0 t-20 -119.94 127.98 53.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.883 0.373 . . . . 0.0 110.753 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -61.96 -50.35 72.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.112 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -60.78 -46.7 89.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 110.23 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 39.9 t -61.87 -43.22 99.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.081 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 t -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.904 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 59.4 t-105 -58.54 -47.64 83.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.139 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.285 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.2 m -63.8 -51.3 65.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 22' ' ' ALA . 73.2 m -61.42 -39.12 89.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.317 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.61 -40.23 84.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -39.46 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.079 0.466 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -72.05 -54.8 8.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.666 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 92.8 m-70 -87.05 138.57 31.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -82.26 -130.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.147 0.499 . . . . 0.0 112.133 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.2 pt -71.25 -0.29 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.766 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.433 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 6.9 m-85 -96.35 -7.34 35.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 45.5 t80 -64.24 125.84 25.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.158 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.557 HH21 HG11 ' A' ' 34' ' ' VAL . 23.2 tpp180 -100.34 -75.56 0.57 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.569 ' HG3' HG21 ' A' ' 32' ' ' VAL . 31.6 ptt180 -142.79 175.73 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.967 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.536 ' HB3' ' SG ' ' A' ' 11' ' ' CYS . . . -141.95 146.6 35.83 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 9.8 p90 -162.62 164.28 26.73 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 123.221 0.326 . . . . 0.0 110.304 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -97.93 120.4 38.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.223 0.535 . . . . 0.0 109.855 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.466 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 52.9 t0 -109.1 131.42 55.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 64.03 -95.18 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 p -150.54 31.3 0.65 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.469 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 t -69.3 129.77 40.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -117.92 127.31 53.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.943 0.401 . . . . 0.0 110.138 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.1 m -102.31 135.34 44.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.353 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG21 ' HG3' ' A' ' 21' ' ' ARG . 16.5 t -110.42 133.63 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -158.67 157.72 32.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.273 0.559 . . . . 0.0 111.617 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG11 HH21 ' A' ' 20' ' ' ARG . 6.8 m -98.99 167.3 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.393 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -150.78 50.71 0.86 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.286 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.677 -1.068 . . . . 0.0 111.991 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 33.2 t -150.25 126.48 10.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.998 0.428 . . . . 0.0 110.362 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.505 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 29.5 t-20 -141.25 143.17 33.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.24 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.65 -49.12 75.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.917 0.389 . . . . 0.0 111.104 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -66.83 -43.93 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.823 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 85.7 p -64.94 -43.66 92.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.174 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.35 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.033 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 61.6 t-105 -56.82 -47.29 80.64 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.142 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.35 96.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.867 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -62.04 -50.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.77 -39.55 94.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.083 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -65.45 -37.49 87.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.96 -44.31 27.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.071 0.462 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.5 -49.74 72.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.91 140.03 30.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.434 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -78.04 -137.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.369 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.534 HG13 ' CD1' ' A' ' 18' ' ' TYR . 39.7 pt -68.97 -3.52 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.534 ' CD1' HG13 ' A' ' 17' ' ' ILE . 3.2 m-85 -98.0 9.46 42.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.823 0.344 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -68.8 125.42 26.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.766 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -99.65 -76.04 0.55 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.502 ' HG3' HG23 ' A' ' 32' ' ' VAL . 28.8 ptt180 -142.43 169.79 16.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.939 0.399 . . . . 0.0 110.446 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.18 147.86 37.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.406 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -161.9 160.74 28.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.805 0.336 . . . . 0.0 110.41 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -97.81 114.51 26.56 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -99.31 118.21 35.46 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 64.4 -86.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.791 0.682 . . . . 0.0 110.246 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -151.59 32.85 0.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -140.49 138.43 34.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.647 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.1 t -70.5 127.74 33.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 1.5 tpmt? -118.94 121.6 40.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.0 110.362 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.24 135.05 43.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.11 0.481 . . . . 0.0 111.466 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG23 ' HG3' ' A' ' 21' ' ' ARG . 21.2 t -113.77 128.21 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -160.1 153.7 22.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.218 0.532 . . . . 0.0 111.462 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -99.39 167.67 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.889 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -150.07 44.45 0.89 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.119 0.485 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.876 0 CA-C-O 119.166 -0.797 . . . . 0.0 111.177 179.532 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.879 0.371 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.4 p -152.49 142.73 22.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.986 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.621 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 21.3 t-20 -123.77 126.56 46.7 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.039 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -63.65 -43.28 97.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.621 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 51.9 m -62.84 -40.79 98.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.125 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.65 -43.17 94.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.576 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 54.1 t-105 -57.48 -48.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.231 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.124 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.0 m -62.52 -50.07 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.364 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 92.3 m -64.03 -41.52 97.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.392 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.48 -35.29 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.972 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.33 78.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -77.32 -48.24 17.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.558 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.641 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 55.7 m-70 -99.69 50.65 0.92 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -56.24 -59.87 4.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG13 ' HD1' ' A' ' 18' ' ' TYR . 23.2 pt -63.01 -32.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -176.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.404 ' HD1' HG13 ' A' ' 17' ' ' ILE . 35.0 m-85 -122.85 33.91 5.28 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.619 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.641 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 41.7 t80 -68.88 131.5 45.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.576 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.5 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.3 tpm_? -107.03 -81.34 0.56 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 38.9 ptt180 -143.55 168.12 20.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.049 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.576 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.76 148.35 38.83 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -165.7 172.74 11.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.737 0.303 . . . . 0.0 110.768 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.4 t -97.41 123.02 41.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -108.55 114.03 27.53 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 65.76 -84.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.752 0.658 . . . . 0.0 110.008 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 28.38 0.73 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -139.49 145.85 39.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 t -70.41 124.49 24.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.345 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -111.69 124.45 52.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.928 0.394 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.58 132.7 44.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.741 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 21' ' ' ARG . 24.6 t -115.64 131.23 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -155.55 150.57 26.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.781 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 m -98.39 171.17 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.998 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -116.55 -37.83 3.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.926 -0.93 . . . . 0.0 111.387 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.666 0.27 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -150.74 125.93 9.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.353 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.403 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 47.9 t30 -142.31 142.19 32.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 32.7 t80 -56.12 -48.54 76.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.93 -44.94 94.69 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 74.6 p -66.27 -43.42 86.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.383 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.91 -44.55 97.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.431 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.601 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.26 -48.91 75.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.5 97.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.152 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -61.14 -50.38 73.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.5 m -64.51 -39.24 93.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.67 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.262 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.73 -52.42 17.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.24 -50.94 62.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.196 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -81.04 130.72 35.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.718 0.294 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -78.23 -132.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.203 0.525 . . . . 0.0 111.412 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.424 HG13 ' CD1' ' A' ' 18' ' ' TYR . 28.4 pt -70.71 -2.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.395 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.468 ' CD2' HG23 ' A' ' 34' ' ' VAL . 5.5 m-85 -97.43 4.15 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.252 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.47 124.22 23.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.271 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.16 -74.11 0.6 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' HG3' HG21 ' A' ' 32' ' ' VAL . 38.7 ptt180 -143.84 171.73 13.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.871 0.367 . . . . 0.0 110.477 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.601 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.62 154.27 45.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.17 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.43 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 25.8 p90 -167.26 162.96 15.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -97.57 115.37 27.73 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.409 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 59.3 t0 -98.05 109.53 22.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.801 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 65.25 -84.59 0.03 OUTLIER 'General case' 0 C--O 1.23 0.066 0 O-C-N 123.956 0.785 . . . . 0.0 110.074 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -150.36 32.05 0.66 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -138.74 134.58 33.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.275 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.57 118.84 13.88 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -108.59 122.41 47.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.2 133.75 44.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.326 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.511 HG21 ' HG3' ' A' ' 21' ' ' ARG . 18.0 t -108.13 131.35 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -163.75 156.55 18.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.312 0.577 . . . . 0.0 111.496 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 18' ' ' TYR . 5.4 m -99.08 162.83 2.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.734 178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -109.29 -38.38 5.51 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.109 0.481 . . . . 0.0 110.689 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.201 -1.333 . . . . 0.0 111.031 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.742 0.306 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.7 137.81 40.37 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.571 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.9 t-20 -107.09 131.43 54.12 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.21 -52.91 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.777 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.76 -41.2 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.571 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 32.2 t -62.7 -43.0 99.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.757 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.44 -48.17 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.159 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.4 -49.3 74.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.02 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.398 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.2 m -60.96 -50.18 74.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.5 m -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.419 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -65.86 -38.95 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.75 66.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -51.71 34.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.033 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.539 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -88.8 123.51 33.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.546 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -82.0 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 0.0 111.718 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 pt -68.2 -1.13 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.773 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.4 -15.96 20.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 65.0 t80 -64.01 130.51 44.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.695 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 22.9 tpp180 -107.72 -71.69 0.75 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' HG3' HG22 ' A' ' 32' ' ' VAL . 31.3 ptt180 -143.35 170.03 16.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.777 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 145.48 34.6 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -163.69 162.85 24.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.15 125.33 43.12 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.014 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -107.41 125.41 51.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 65.09 -93.11 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 m -150.64 34.47 0.62 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -140.29 137.74 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.908 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.05 131.63 46.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.096 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -118.33 123.23 44.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.892 0.377 . . . . 0.0 110.127 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 78.9 m -101.45 134.08 45.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.516 HG22 ' HG3' ' A' ' 21' ' ' ARG . 23.4 t -110.29 132.07 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -159.94 162.91 34.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.102 0.477 . . . . 0.0 111.169 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 34' ' ' VAL . 5.5 m -97.82 160.09 3.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.511 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -89.28 -27.96 20.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.042 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.537 -1.146 . . . . 0.0 111.852 179.706 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.181 0.515 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.2 p -150.44 131.38 14.25 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.4 t-20 -111.4 132.35 54.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.783 -178.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -64.53 -52.66 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.44 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -59.8 -42.26 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.557 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 28.8 t -65.29 -42.7 92.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.64 -48.07 78.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.935 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.592 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 53.8 t-105 -57.62 -47.01 83.4 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.766 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.92 -46.24 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.277 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.2 m -62.47 -48.37 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.63 -40.44 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.49 -42.39 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.65 87.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.209 0.528 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.071 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 86.6 m-70 -92.56 126.02 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 111.661 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.3 -120.53 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.432 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.541 HG13 ' CD1' ' A' ' 18' ' ' TYR . 27.5 pt -66.57 -8.98 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.541 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.7 m-85 -97.4 -1.05 45.21 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.549 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.5 t80 -71.42 122.38 20.27 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.048 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -99.83 -71.97 0.68 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.668 ' HG3' HG23 ' A' ' 32' ' ' VAL . 35.5 ptt180 -143.31 171.71 13.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 8' ' ' TRP . . . -142.13 148.05 37.67 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 21.9 p90 -166.69 167.47 15.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.98 116.87 31.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.457 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 9.4 t70 -99.59 115.35 29.18 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 64.78 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.822 0.701 . . . . 0.0 110.163 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -150.59 29.84 0.68 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.338 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -137.28 140.75 41.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.632 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 t -72.02 126.26 29.31 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -115.43 123.44 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.981 0.42 . . . . 0.0 110.554 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.45 133.57 43.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.355 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.668 HG23 ' HG3' ' A' ' 21' ' ' ARG . 21.6 t -108.65 123.19 64.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -154.58 150.96 28.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.5 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 11.4 m -99.39 164.58 2.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.022 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -116.84 -36.49 3.85 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.442 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.038 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.6 p -152.02 146.18 25.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.857 0.36 . . . . 0.0 110.628 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.569 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.1 t-20 -113.75 129.39 56.58 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.01 -56.88 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -60.22 -40.82 91.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.905 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.569 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 48.4 t -60.34 -45.57 92.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.15 -46.48 87.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.063 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 65.5 t-105 -54.77 -50.25 68.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.241 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.52 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.16 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.7 m -59.71 -48.89 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.342 0.592 . . . . 0.0 110.526 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.25 -37.75 75.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -65.87 -40.65 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.599 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.25 58.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.61 -54.59 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -76.27 136.14 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.305 0.574 . . . . 0.0 111.437 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -83.29 -134.98 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.35 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.3 pt -69.31 2.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 120.909 0.385 . . . . 0.0 112.006 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -97.39 -3.89 39.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.059 0.457 . . . . 0.0 109.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.89 124.73 24.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.082 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 -99.74 -76.44 0.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.499 ' HG3' HG21 ' A' ' 32' ' ' VAL . 38.6 ptt180 -143.33 172.35 12.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.318 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.46 148.11 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.975 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -164.1 165.05 22.64 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.1 t -97.24 123.9 41.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.213 0.53 . . . . 0.0 109.893 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.93 120.0 41.09 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.852 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 67.24 -87.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.797 0.685 . . . . 0.0 110.106 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.7 t -150.55 27.34 0.74 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -139.98 151.2 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.402 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.76 128.44 35.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.848 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 30' ' ' LYS . 14.4 tppt? -113.67 119.37 37.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -100.39 133.68 44.46 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.177 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.499 HG21 ' HG3' ' A' ' 21' ' ' ARG . 17.7 t -107.06 124.17 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -160.77 152.19 19.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 m -99.06 158.18 3.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.322 0.582 . . . . 0.0 110.816 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.1 mtm-85 -110.92 -37.02 5.51 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.895 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.012 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.0 p -116.98 146.28 43.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.8 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.618 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 20.9 t-20 -130.01 134.59 47.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.71 -55.03 30.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -60.46 -46.35 90.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.773 0.32 . . . . 0.0 110.214 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 52.4 m -59.49 -42.69 92.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -67.33 -47.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.376 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.673 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 55.2 t-105 -57.23 -48.44 78.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.302 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.61 95.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.281 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -63.13 -52.45 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.92 -39.31 94.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.487 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.82 -41.28 87.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.671 0.272 . . . . 0.0 111.628 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.78 61.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.872 0.367 . . . . 0.0 111.55 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -69.07 -47.89 64.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.974 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -79.75 143.52 34.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -81.71 -139.86 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.871 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.489 HG13 ' CD1' ' A' ' 18' ' ' TYR . 35.6 pt -71.21 -1.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' CD1' HG13 ' A' ' 17' ' ' ILE . 5.5 m-85 -98.75 15.3 25.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 110.771 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -76.13 127.81 33.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.647 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -99.03 -78.99 0.49 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HG3' HG23 ' A' ' 32' ' ' VAL . 40.2 ptt180 -142.93 173.89 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 110.566 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.91 142.13 33.03 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -160.15 172.51 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.6 118.29 33.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.535 0.683 . . . . 0.0 110.337 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.1 t70 -106.44 117.06 33.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.329 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 65.21 -86.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.758 0.661 . . . . 0.0 110.012 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -150.86 29.66 0.66 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.555 0.693 . . . . 0.0 109.343 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 17.9 pt20 -137.48 150.14 47.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.908 -178.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.44 120.54 21.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -108.11 123.89 49.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.926 0.393 . . . . 0.0 110.157 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.3 132.55 44.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.688 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 21' ' ' ARG . 17.4 t -109.78 127.6 66.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -159.37 151.6 21.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.142 0.496 . . . . 0.0 111.186 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.435 ' H ' HG22 ' A' ' 34' ' ' VAL . 5.3 m -100.54 161.02 3.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.146 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -109.06 -4.28 16.74 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.251 0.548 . . . . 0.0 110.563 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' HA2' ' HE2' ' A' ' 18' ' ' TYR . . . . . . . . 0 C--O 1.247 0.94 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.963 0.411 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 p -92.1 130.19 37.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.66 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.3 t-20 -106.23 131.76 53.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.908 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.15 -52.26 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.403 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -58.93 -45.19 91.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 110.285 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.66 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 49.5 m -63.17 -44.76 94.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.821 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -61.87 -45.63 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.331 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.534 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 56.8 t-105 -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.047 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.934 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -60.02 -48.05 83.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 111.132 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 74.3 m -68.44 -42.01 79.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.023 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.79 -33.02 71.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.656 0.265 . . . . 0.0 111.696 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.883 0.373 . . . . 0.0 110.68 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 -55.07 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.345 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -83.76 120.46 26.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.317 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.8 m -89.24 -107.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' A' ' 18' ' ' TYR . 24.4 pt -73.09 -9.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.47 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.5 m-85 -97.75 3.67 50.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.116 0.484 . . . . 0.0 109.954 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -77.1 127.43 32.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.765 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' HG12 ' A' ' 32' ' ' VAL . 25.1 tpp180 -98.91 -79.55 0.48 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.57 ' HG3' HG21 ' A' ' 32' ' ' VAL . 30.8 ptt180 -143.29 178.23 7.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.783 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.97 148.08 38.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 11.8 p90 -165.49 166.73 18.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.23 118.34 33.46 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.341 0.591 . . . . 0.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 66.1 t0 -99.97 116.49 32.15 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 65.2 -86.86 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.825 0.703 . . . . 0.0 110.062 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 p -151.25 30.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.76 0.791 . . . . 0.0 108.999 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.51 141.61 41.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.102 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.52 125.15 25.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -113.41 124.22 51.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 0.0 110.455 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.14 131.93 46.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG21 ' HG3' ' A' ' 21' ' ' ARG . 14.6 t -105.12 129.61 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -158.87 155.15 27.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 110.946 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -98.0 160.52 3.07 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.804 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -112.67 -34.82 5.69 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.044 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.561 -1.133 . . . . 0.0 111.856 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.804 0.335 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 t -150.2 121.32 7.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -141.72 141.18 33.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.757 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -52.03 -54.97 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.98 -41.81 99.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.214 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -63.8 -45.23 90.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.105 0.479 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.49 -43.63 93.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.725 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 58.8 t-105 -57.39 -48.11 79.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.93 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -64.93 -52.94 53.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.803 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 72.2 m -64.34 -40.12 95.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.896 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.88 -37.9 89.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.922 0.392 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.65 -46.04 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.171 0.51 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.1 -51.88 58.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.845 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.521 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -93.68 130.41 39.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.796 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -77.48 -130.02 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.24 2.52 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -97.4 -10.13 26.06 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.9 t80 -64.68 126.32 27.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.204 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.535 HH21 HG12 ' A' ' 34' ' ' VAL . 22.0 tpp180 -99.0 -74.41 0.59 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -143.27 169.77 17.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.725 ' HB1' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.22 35.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -160.16 165.66 31.22 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.699 0.285 . . . . 0.0 110.603 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.27 113.63 25.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.219 0.533 . . . . 0.0 110.088 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -99.23 112.84 24.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 63.43 -87.62 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 O-C-N 123.78 0.675 . . . . 0.0 110.07 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.8 t -150.94 33.21 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -139.36 131.17 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.142 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.52 124.4 22.69 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.042 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -111.64 122.98 49.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.882 0.372 . . . . 0.0 110.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.2 m -103.33 133.24 48.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.572 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.56 131.22 62.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -164.26 155.39 15.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.09 0.471 . . . . 0.0 111.328 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.535 HG12 HH21 ' A' ' 20' ' ' ARG . 6.1 m -98.04 172.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.61 178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 mtm105 -136.86 28.5 2.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.309 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.31 -1.272 . . . . 0.0 111.725 -179.669 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.746 0.308 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.8 p -128.71 133.27 48.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.108 0.48 . . . . 0.0 110.619 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.588 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 2.0 t-20 -110.48 130.51 55.54 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.46 -51.84 65.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.608 0.242 . . . . 0.0 111.057 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -58.86 -41.84 87.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.588 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 19.5 p -66.72 -45.17 79.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.246 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.49 -46.14 89.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 53.9 t-105 -57.71 -47.48 82.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.212 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.24 97.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.193 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 47.5 m -62.75 -50.6 70.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 22' ' ' ALA . 72.0 m -61.74 -40.69 95.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.567 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -37.33 85.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.09 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.12 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 10' ' ' THR . 89.9 mt-30 -66.11 -40.32 90.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.965 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 93.3 m-70 -107.05 129.07 54.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.91 0.386 . . . . 0.0 111.705 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -79.93 -121.81 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.692 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -70.35 -1.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.721 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -97.76 -7.61 30.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.393 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.458 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.0 t80 -67.78 124.86 24.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -99.73 -77.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.662 ' HG3' HG23 ' A' ' 32' ' ' VAL . 17.3 ptt180 -143.99 -178.02 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.017 178.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -142.32 153.18 43.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.34 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.421 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -166.71 163.66 16.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.141 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.18 120.47 38.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 62.2 t0 -99.15 111.48 23.86 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 66.6 -85.48 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.146 0 O-C-N 123.845 0.716 . . . . 0.0 109.861 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 t -150.66 33.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -139.69 134.0 31.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.944 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.1 t -65.52 124.68 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -116.48 124.13 49.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.01 0.433 . . . . 0.0 110.038 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.3 m -99.44 134.95 41.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.343 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.662 HG23 ' HG3' ' A' ' 21' ' ' ARG . 15.5 t -102.4 129.53 53.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.92 153.91 28.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.377 0.608 . . . . 0.0 111.797 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 34' ' ' VAL . 6.1 m -99.21 162.18 2.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.15 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -142.28 36.73 1.53 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.847 0 CA-C-O 118.889 -0.951 . . . . 0.0 111.935 179.654 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 p -89.65 134.89 33.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.073 0.463 . . . . 0.0 111.16 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.415 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 56.4 t30 -126.55 129.41 48.55 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.9 -56.02 25.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.91 -41.17 91.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 111.096 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 24.1 m -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 t -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.037 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.64 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 59.6 t-105 -56.78 -48.24 78.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.098 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.87 99.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.433 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -63.12 -50.46 70.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -63.72 -42.04 97.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.67 70.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.899 0.38 . . . . 0.0 111.315 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.46 -52.28 10.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.003 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -78.61 137.61 37.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -80.17 -129.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.84 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.4 pt -77.56 2.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -98.1 0.89 46.94 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -68.34 125.18 25.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.798 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.7 tpm_? -99.55 -75.22 0.57 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.988 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.601 ' HG3' HG22 ' A' ' 32' ' ' VAL . 20.6 ptt180 -143.46 170.18 16.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . . . -141.48 145.02 34.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -163.32 171.91 15.43 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.2 117.83 33.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.228 0.537 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -99.38 107.89 20.25 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 67.51 -84.74 0.03 OUTLIER 'General case' 0 C--O 1.231 0.094 0 O-C-N 123.919 0.762 . . . . 0.0 109.746 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -150.39 31.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.717 0.77 . . . . 0.0 109.228 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.82 139.26 44.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.116 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 t -71.15 119.7 15.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -109.45 125.71 52.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.913 0.387 . . . . 0.0 110.658 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.4 m -102.43 133.52 47.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.184 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.601 HG22 ' HG3' ' A' ' 21' ' ' ARG . 19.3 t -111.53 133.37 57.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -155.42 151.37 27.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.935 0.398 . . . . 0.0 111.089 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' H ' HG21 ' A' ' 34' ' ' VAL . 10.5 m -98.79 164.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.885 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -142.32 45.69 1.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.7 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.943 -0.92 . . . . 0.0 112.079 -179.455 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.829 0.347 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.11 134.91 39.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.994 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -106.96 134.65 49.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -58.89 -54.85 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.954 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -58.65 -39.5 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 t -62.84 -46.82 86.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.106 0.479 . . . . 0.0 109.974 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.29 -45.7 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.613 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.562 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 57.0 t-105 -57.43 -49.93 74.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -43.47 96.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.367 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -60.49 -46.7 89.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.028 0.442 . . . . 0.0 111.429 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 85.7 m -70.53 -37.8 74.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.2 -41.54 94.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.779 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.44 76.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.734 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -70.33 -52.22 24.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.0 m-70 -83.02 135.46 34.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.955 0.407 . . . . 0.0 111.896 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -83.45 -132.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.0 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG13 ' CD1' ' A' ' 18' ' ' TYR . 38.7 pt -68.79 -1.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.174 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.429 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 5.8 m-85 -97.64 -3.09 40.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.031 0.443 . . . . 0.0 109.822 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 46.6 t80 -68.94 124.16 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.484 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -100.48 -74.61 0.6 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.854 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.563 ' HG3' HG23 ' A' ' 32' ' ' VAL . 36.3 ptt180 -143.11 176.25 9.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.88 141.81 33.06 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 13.4 p90 -156.22 162.8 40.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.828 0.346 . . . . 0.0 110.257 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.77 120.53 38.32 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.543 0.687 . . . . 0.0 109.528 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 6.3 t70 -99.15 115.01 28.08 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 66.4 -85.92 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.964 0.79 . . . . 0.0 109.626 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 p -150.93 32.69 0.6 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -140.13 138.48 35.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.426 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.31 126.83 30.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -116.97 126.77 53.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.4 m -99.58 135.3 41.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.563 HG23 ' HG3' ' A' ' 21' ' ' ARG . 17.6 t -109.52 125.96 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -151.4 149.64 29.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.223 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.429 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 9.5 m -97.87 161.21 2.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.439 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -130.45 40.56 3.5 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.329 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 119.087 -0.841 . . . . 0.0 111.038 -179.568 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.757 0.313 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.4 t -150.53 117.71 5.99 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -140.97 135.4 31.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.111 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -55.66 -55.55 30.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -61.83 -44.47 96.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.762 0.315 . . . . 0.0 111.416 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -62.89 -43.86 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -64.0 -45.17 90.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.542 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.669 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 53.2 t-105 -57.03 -46.49 82.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.31 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' O ' ' HB1' ' A' ' 13' ' ' ALA . . . -61.79 -45.39 94.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.887 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 m -61.6 -52.45 64.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.539 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.6 m -63.09 -41.39 99.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.822 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -67.27 -42.75 83.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.33 . . . . 0.0 111.597 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 9' ' ' ALA . . . -69.95 -36.42 75.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -50.76 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -82.32 138.77 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.3 p -76.16 -135.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.142 0.496 . . . . 0.0 112.11 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 pt -73.73 2.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.737 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -96.79 -1.52 46.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.921 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.25 127.6 32.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.315 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' HG12 ' A' ' 32' ' ' VAL . 22.9 tpp180 -99.2 -78.41 0.5 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.524 ' HG3' HG22 ' A' ' 32' ' ' VAL . 32.8 ptt180 -143.02 174.02 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.153 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.669 ' HB1' ' HA ' ' A' ' 8' ' ' TRP . . . -142.69 149.5 38.91 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -164.32 167.9 19.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.858 0.361 . . . . 0.0 110.765 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.48 111.85 23.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.124 0.487 . . . . 0.0 110.255 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -100.31 110.03 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 64.03 -86.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.783 0.677 . . . . 0.0 110.733 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -149.75 34.03 0.69 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -140.53 139.22 35.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.287 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -73.86 118.65 17.06 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -103.2 122.14 44.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.891 0.377 . . . . 0.0 110.214 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.0 m -101.65 130.08 47.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.472 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 21' ' ' ARG . 17.9 t -109.3 132.36 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CE2' ' HD3' ' A' ' 35' ' ' ARG . 36.3 p90 -159.53 156.19 27.72 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -178.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.415 ' H ' HG22 ' A' ' 34' ' ' VAL . 6.8 m -97.74 161.3 2.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.66 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' HD3' ' CE2' ' A' ' 33' ' ' PHE . 46.3 mmm-85 -119.7 35.31 4.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.436 0.636 . . . . 0.0 109.639 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.813 0 CA-C-O 119.003 -0.887 . . . . 0.0 111.084 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.871 0.367 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.2 t -150.17 135.25 17.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.771 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.691 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.5 t-20 -140.57 137.14 33.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.216 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.491 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 12.4 t80 -59.66 -56.89 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.5 -43.87 97.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.541 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.691 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 47.5 m -62.42 -39.49 93.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.383 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 -43.03 91.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.79 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.924 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 56.1 t-105 -55.01 -49.72 70.81 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.86 99.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.313 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -61.22 -51.34 69.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.368 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -63.89 -40.92 97.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -66.45 -35.17 79.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.194 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.9 64.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.776 0.322 . . . . 0.0 111.479 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -70.61 -52.2 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.049 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -77.87 139.75 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.984 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -77.22 -136.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.366 0.603 . . . . 0.0 111.985 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.7 pt -76.53 5.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.234 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -97.39 -4.42 38.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.174 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.92 127.56 31.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.328 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -98.01 -77.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' HG3' HG23 ' A' ' 32' ' ' VAL . 34.5 ptt180 -142.94 170.68 15.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.802 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.924 ' HB1' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.1 35.32 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.491 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 22.2 p90 -162.17 163.21 28.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.64 115.28 28.32 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -104.24 125.09 50.22 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 61.09 -90.66 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.779 0.674 . . . . 0.0 109.822 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 p -150.22 34.44 0.65 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -139.27 137.92 36.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.282 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.7 t -74.66 122.42 23.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -111.96 128.37 56.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.552 . . . . 0.0 111.051 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.0 m -105.31 132.26 51.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.333 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG23 ' HG3' ' A' ' 21' ' ' ARG . 21.2 t -112.17 133.64 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.424 ' HE2' ' HD3' ' A' ' 35' ' ' ARG . 46.5 p90 -164.1 156.32 16.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 110.978 -177.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.3 m -98.3 165.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.154 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HD3' ' HE2' ' A' ' 33' ' ' PHE . 26.5 mmm180 -114.11 -36.71 4.65 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.398 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.811 0 CA-C-O 118.936 -0.924 . . . . 0.0 111.431 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.2 p -150.12 137.34 19.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.073 0.463 . . . . 0.0 110.873 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -104.29 129.25 52.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.447 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 36.4 t80 -60.85 -50.78 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.642 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.7 -40.27 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.352 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -64.65 -48.03 76.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.11 -48.53 81.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.516 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.13 97.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.318 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.9 m -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.945 0.402 . . . . 0.0 110.951 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.0 m -64.78 -40.42 95.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.74 -38.81 90.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -76.67 -54.6 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.1 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 65.8 m-70 -88.22 127.59 35.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.46 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -89.93 -117.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.278 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.8 pt -68.28 -9.36 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.47 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.1 m-85 -95.82 -3.44 45.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.5 t80 -72.62 125.24 27.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.658 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HB3' HG11 ' A' ' 32' ' ' VAL . 17.7 tpp85 -99.3 -75.18 0.57 Allowed 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.628 ' HG3' HG22 ' A' ' 32' ' ' VAL . 26.7 ptt180 -142.86 178.48 7.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.916 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.516 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -141.77 149.0 39.86 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -163.68 160.96 23.31 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 123.426 0.454 . . . . 0.0 109.791 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.45 120.5 38.97 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.719 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 36.3 t70 -98.57 121.58 40.69 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 64.14 -89.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.662 0.601 . . . . 0.0 109.435 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.8 m -149.11 30.12 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -137.35 138.31 39.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.68 132.5 48.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.41 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -125.02 128.65 48.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -103.13 136.5 42.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.019 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.628 HG22 ' HG3' ' A' ' 21' ' ' ARG . 20.9 t -104.29 123.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -156.76 149.99 24.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 111.116 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m -98.8 170.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.692 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -36.58 3.05 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.674 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 119.166 -0.797 . . . . 0.0 111.145 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.596 0.236 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.4 t -88.54 125.88 34.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.765 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 18.7 t-20 -140.58 138.8 34.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.213 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -59.88 -58.21 9.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -61.09 -44.74 96.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 0.0 110.339 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.765 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 73.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.21 -45.45 80.66 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.667 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 62.9 t-105 -54.98 -49.86 70.4 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.195 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.67 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.901 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 m -60.09 -51.87 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.339 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 74.2 m -63.72 -40.65 97.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -65.54 -38.43 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.831 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -46.71 59.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.898 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -84.59 141.17 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 0.0 112.063 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -79.53 -134.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.077 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.494 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.7 pt -74.68 -4.59 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.494 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.8 m-85 -98.87 16.04 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 0.0 110.658 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -75.35 127.07 32.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.559 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -99.59 -80.63 0.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.528 ' HG3' HG21 ' A' ' 32' ' ' VAL . 27.0 ptt180 -141.9 173.14 11.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.946 0.403 . . . . 0.0 110.586 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.667 ' HB1' ' HA ' ' A' ' 8' ' ' TRP . . . -142.54 148.96 38.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.527 -0.76 . . . . 0.0 108.991 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -159.08 165.2 34.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.733 0.301 . . . . 0.0 110.708 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.4 t -96.43 117.73 31.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -105.52 110.27 22.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 64.76 -85.87 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.674 0.609 . . . . 0.0 110.581 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.6 t -150.67 32.27 0.63 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -140.69 138.39 34.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.347 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.36 124.56 25.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -110.79 122.64 48.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.8 m -100.32 135.73 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.528 HG21 ' HG3' ' A' ' 21' ' ' ARG . 16.7 t -113.42 126.85 70.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.89 149.71 27.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.028 0.442 . . . . 0.0 111.224 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.417 ' H ' HG21 ' A' ' 34' ' ' VAL . 6.1 m -100.67 166.85 2.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.046 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -135.98 34.64 2.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.328 0.585 . . . . 0.0 109.855 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.709 179.77 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.1 p -88.16 132.69 34.23 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.499 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 17.0 t-20 -106.34 135.69 47.38 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.372 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -62.28 -48.79 78.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.997 0.427 . . . . 0.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.59 -41.26 98.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.499 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 72.7 p -65.42 -41.85 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.36 -45.18 92.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.654 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 57.2 t-105 -57.31 -45.75 83.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.14 92.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 m -61.28 -50.84 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.832 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 22' ' ' ALA . 87.7 m -61.1 -40.36 93.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.084 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -68.68 -32.12 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.051 0.453 . . . . 0.0 110.626 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -42.32 63.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 0.0 110.545 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -73.07 -45.61 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.636 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -97.7 127.89 43.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.977 0.417 . . . . 0.0 111.843 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -83.16 -123.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.605 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.486 HG13 ' CD1' ' A' ' 18' ' ' TYR . 32.5 pt -68.6 -3.81 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.486 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.1 m-85 -98.25 -0.68 43.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.836 0.35 . . . . 0.0 110.409 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.6 126.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.801 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -99.51 -80.55 0.47 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' HG3' HG21 ' A' ' 32' ' ' VAL . 30.7 ptt180 -143.04 178.51 7.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.828 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 8' ' ' TRP . . . -142.25 151.59 42.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.046 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -167.86 160.11 12.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.779 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -97.36 123.48 41.2 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -99.7 114.81 28.15 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 67.03 -86.94 0.03 OUTLIER 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.823 0.702 . . . . 0.0 109.519 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 p -150.37 29.49 0.7 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.643 0.735 . . . . 0.0 109.436 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -134.21 139.01 45.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.954 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -117.76 123.84 46.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.4 m -102.05 134.32 45.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.865 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.504 HG21 ' HG3' ' A' ' 21' ' ' ARG . 12.9 t -106.09 129.93 58.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -160.04 156.63 27.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 m -97.52 160.56 2.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.178 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -110.91 -36.29 5.72 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.016 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 CA-C-O 118.328 -1.262 . . . . 0.0 111.298 179.562 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.728 0.299 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 38.3 t80 -61.56 -53.03 61.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.629 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -61.55 -45.68 93.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.432 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -63.33 -42.6 98.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.374 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.9 t -64.1 -44.47 92.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.044 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.707 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.3 t-105 -56.93 -49.48 75.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.393 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.43 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.4 m -62.09 -48.85 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.069 0.462 . . . . 0.0 111.254 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.9 m -65.28 -43.41 91.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.821 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -66.95 -39.09 87.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.616 0.246 . . . . 0.0 111.472 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.14 87.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.758 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.64 -53.59 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -72.63 139.31 47.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.712 0.292 . . . . 0.0 111.276 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -84.81 -133.46 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 0.0 112.153 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 pt -74.59 1.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.539 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -96.67 -4.28 41.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.459 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.73 126.4 29.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.515 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -97.96 -76.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 39.8 ptt180 -144.07 174.42 10.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.203 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.707 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.47 145.65 35.5 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 4.5 p90 -165.53 -179.59 5.54 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.68 113.72 25.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 28.6 t70 -97.38 115.0 26.9 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 65.1 -86.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.999 0.812 . . . . 0.0 109.28 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 p -151.01 30.07 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.675 0.75 . . . . 0.0 109.159 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -137.07 147.53 46.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.585 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.94 122.56 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -117.49 125.98 51.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.008 0.432 . . . . 0.0 110.915 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.6 m -99.92 133.16 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.438 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 12.9 t -108.79 130.23 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -160.96 150.92 17.43 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.316 -0.867 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.105 179.418 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.474 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 14.9 t-20 . . . . . 0 C--O 1.226 -0.144 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.42 -57.25 13.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -60.51 -39.99 89.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 43.3 t -65.89 -44.81 84.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -59.92 -42.77 94.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.174 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.794 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.53 -48.97 76.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.87 97.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.191 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -59.45 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.6 m -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -65.1 -40.33 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.334 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.63 57.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.516 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -51.84 37.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 76.3 m-70 -82.59 136.47 34.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 111.653 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -79.06 -136.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.866 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.1 pt -72.48 2.15 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -95.88 -3.74 44.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 47.0 t80 -66.91 126.42 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.582 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.0 -75.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.54 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 35.0 ptt180 -143.37 174.36 10.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.909 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.794 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.28 144.69 33.4 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -157.94 158.89 35.84 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.134 0.492 . . . . 0.0 110.769 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -97.69 117.74 32.66 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.797 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.93 119.62 39.97 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 62.92 -87.87 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.805 0.691 . . . . 0.0 110.085 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -150.42 32.68 0.64 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -139.1 134.12 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.553 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.17 121.72 22.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -110.28 125.91 53.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -100.83 134.81 43.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.627 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.54 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 15.4 t -107.77 129.98 60.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.77 157.42 18.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.951 0.405 . . . . 0.0 111.13 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 C--N 1.318 -0.79 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.307 178.457 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.0 t-20 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -61.96 -50.35 72.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.112 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -60.78 -46.7 89.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 110.23 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 39.9 t -61.87 -43.22 99.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.081 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 t -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.904 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.631 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.4 t-105 -58.54 -47.64 83.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.139 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.285 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.2 m -63.8 -51.3 65.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -61.42 -39.12 89.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.317 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -67.61 -40.23 84.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -39.46 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.079 0.466 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -72.05 -54.8 8.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.666 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 92.8 m-70 -87.05 138.57 31.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -82.26 -130.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.147 0.499 . . . . 0.0 112.133 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.2 pt -71.25 -0.29 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.766 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.431 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 6.9 m-85 -96.35 -7.34 35.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 45.5 t80 -64.24 125.84 25.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.158 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.501 HH21 HG11 ' A' ' 34' ' ' VAL . 23.2 tpp180 -100.34 -75.56 0.57 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -142.79 175.73 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.967 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.95 146.6 35.83 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.465 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 9.8 p90 -162.62 164.28 26.73 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 123.221 0.326 . . . . 0.0 110.304 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -97.93 120.4 38.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.223 0.535 . . . . 0.0 109.855 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.465 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 52.9 t0 -109.1 131.42 55.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 64.03 -95.18 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 p -150.54 31.3 0.65 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.469 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 t -69.3 129.77 40.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -117.92 127.31 53.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.943 0.401 . . . . 0.0 110.138 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.1 m -102.31 135.34 44.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.353 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.42 133.63 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -158.67 157.72 32.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.273 0.559 . . . . 0.0 111.617 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.501 HG11 HH21 ' A' ' 20' ' ' ARG . 6.8 m . . . . . 0 C--N 1.315 -0.893 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.393 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.515 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 29.5 t-20 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.65 -49.12 75.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.917 0.389 . . . . 0.0 111.104 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -66.83 -43.93 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.823 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.515 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 85.7 p -64.94 -43.66 92.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.174 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.35 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.033 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 61.6 t-105 -56.82 -47.29 80.64 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.142 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.35 96.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.867 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -62.04 -50.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.77 -39.55 94.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.083 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -65.45 -37.49 87.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.96 -44.31 27.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.071 0.462 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -63.5 -49.74 72.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.91 140.03 30.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.434 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -78.04 -137.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.369 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 18' ' ' TYR . 39.7 pt -68.97 -3.52 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.551 ' CD1' HG13 ' A' ' 17' ' ' ILE . 3.2 m-85 -98.0 9.46 42.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.823 0.344 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -68.8 125.42 26.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.766 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -99.65 -76.04 0.55 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -142.43 169.79 16.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.939 0.399 . . . . 0.0 110.446 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.18 147.86 37.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.406 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -161.9 160.74 28.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.805 0.336 . . . . 0.0 110.41 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -97.81 114.51 26.56 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -99.31 118.21 35.46 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 64.4 -86.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.791 0.682 . . . . 0.0 110.246 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -151.59 32.85 0.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -140.49 138.43 34.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.647 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.1 t -70.5 127.74 33.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 1.5 tpmt? -118.94 121.6 40.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.0 110.362 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.24 135.05 43.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.11 0.481 . . . . 0.0 111.466 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.77 128.21 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -160.1 153.7 22.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.218 0.532 . . . . 0.0 111.462 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.889 178.485 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 21.3 t-20 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.039 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -63.65 -43.28 97.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.613 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 51.9 m -62.84 -40.79 98.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.125 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.65 -43.17 94.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.746 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 54.1 t-105 -57.48 -48.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.231 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.124 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.0 m -62.52 -50.07 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.364 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 92.3 m -64.03 -41.52 97.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.392 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.48 -35.29 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.972 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.33 78.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -77.32 -48.24 17.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.558 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.643 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 20.4 m80 -99.69 50.65 0.92 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -56.24 -59.87 4.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.01 -32.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.713 ' HD2' HG23 ' A' ' 34' ' ' VAL . 35.0 m-85 -122.85 33.91 5.28 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.619 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.643 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 41.7 t80 -68.88 131.5 45.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.576 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.533 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.3 tpm_? -107.03 -81.34 0.56 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 38.9 ptt180 -143.55 168.12 20.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.049 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.76 148.35 38.83 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -165.7 172.74 11.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.737 0.303 . . . . 0.0 110.768 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.4 t -97.41 123.02 41.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -108.55 114.03 27.53 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 65.76 -84.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.752 0.658 . . . . 0.0 110.008 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 28.38 0.73 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -139.49 145.85 39.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 t -70.41 124.49 24.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.345 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -111.69 124.45 52.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.928 0.394 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.58 132.7 44.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.741 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 21' ' ' ARG . 24.6 t -115.64 131.23 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -155.55 150.57 26.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.781 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.713 HG23 ' HD2' ' A' ' 18' ' ' TYR . 7.5 m . . . . . 0 C--N 1.318 -0.776 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.998 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.415 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 47.9 t30 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 32.7 t80 -56.12 -48.54 76.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.93 -44.94 94.69 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.415 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 74.6 p -66.27 -43.42 86.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.383 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.91 -44.55 97.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.431 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.26 -48.91 75.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.5 97.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.152 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -61.14 -50.38 73.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.5 m -64.51 -39.24 93.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -63.67 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.262 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.73 -52.42 17.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.24 -50.94 62.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.196 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -81.04 130.72 35.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.718 0.294 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -78.23 -132.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.203 0.525 . . . . 0.0 111.412 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.443 HG13 ' CD1' ' A' ' 18' ' ' TYR . 28.4 pt -70.71 -2.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.395 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.637 ' CD2' HG23 ' A' ' 34' ' ' VAL . 5.5 m-85 -97.43 4.15 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.252 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.47 124.22 23.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.271 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.16 -74.11 0.6 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -143.84 171.73 13.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.871 0.367 . . . . 0.0 110.477 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.62 154.27 45.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.17 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.442 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 25.8 p90 -167.26 162.96 15.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -97.57 115.37 27.73 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 59.3 t0 -98.05 109.53 22.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.801 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 65.25 -84.59 0.03 OUTLIER 'General case' 0 C--O 1.23 0.066 0 O-C-N 123.956 0.785 . . . . 0.0 110.074 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -150.36 32.05 0.66 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -138.74 134.58 33.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.275 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.57 118.84 13.88 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -108.59 122.41 47.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.2 133.75 44.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.326 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -108.13 131.35 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -163.75 156.55 18.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.312 0.577 . . . . 0.0 111.496 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.637 HG23 ' CD2' ' A' ' 18' ' ' TYR . 5.4 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.734 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.593 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.9 t-20 . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.21 -52.91 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.777 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.76 -41.2 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 32.2 t -62.7 -43.0 99.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.757 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.44 -48.17 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.159 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.717 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.4 -49.3 74.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.02 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.398 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.2 m -60.96 -50.18 74.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.5 m -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.419 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -65.86 -38.95 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.75 66.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -51.71 34.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.033 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -88.8 123.51 33.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.546 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -82.0 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 0.0 111.718 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 pt -68.2 -1.13 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.773 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.4 -15.96 20.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 65.0 t80 -64.01 130.51 44.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.695 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -107.72 -71.69 0.75 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -143.35 170.03 16.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.777 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.717 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 145.48 34.6 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -163.69 162.85 24.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.15 125.33 43.12 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.014 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -107.41 125.41 51.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 65.09 -93.11 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 m -150.64 34.47 0.62 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -140.29 137.74 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.908 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.05 131.63 46.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.096 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -118.33 123.23 44.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.892 0.377 . . . . 0.0 110.127 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 78.9 m -101.45 134.08 45.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.29 132.07 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -159.94 162.91 34.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.102 0.477 . . . . 0.0 111.169 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.315 -0.911 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.511 179.061 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.587 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.4 t-20 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.584 0.231 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -64.53 -52.66 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.44 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -59.8 -42.26 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.587 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 28.8 t -65.29 -42.7 92.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.64 -48.07 78.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.935 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.8 t-105 -57.62 -47.01 83.4 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.766 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.92 -46.24 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.277 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.2 m -62.47 -48.37 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.63 -40.44 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.49 -42.39 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.65 87.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.209 0.528 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.071 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 86.6 m-70 -92.56 126.02 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 111.661 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.3 -120.53 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.432 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.558 HG13 ' CD1' ' A' ' 18' ' ' TYR . 27.5 pt -66.57 -8.98 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.558 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.7 m-85 -97.4 -1.05 45.21 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.549 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.5 t80 -71.42 122.38 20.27 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.048 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -99.83 -71.97 0.68 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 35.5 ptt180 -143.31 171.71 13.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.13 148.05 37.67 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 21.9 p90 -166.69 167.47 15.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.98 116.87 31.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 9.4 t70 -99.59 115.35 29.18 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 64.78 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.822 0.701 . . . . 0.0 110.163 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -150.59 29.84 0.68 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.338 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -137.28 140.75 41.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.632 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 t -72.02 126.26 29.31 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -115.43 123.44 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.981 0.42 . . . . 0.0 110.554 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.45 133.57 43.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.355 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 21.6 t -108.65 123.19 64.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -154.58 150.96 28.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.5 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.431 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 11.4 m . . . . . 0 C--N 1.315 -0.925 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.022 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.588 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.1 t-20 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.01 -56.88 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -60.22 -40.82 91.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.905 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.588 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 48.4 t -60.34 -45.57 92.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.15 -46.48 87.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.063 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.702 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 65.5 t-105 -54.77 -50.25 68.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.241 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.52 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.16 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.7 m -59.71 -48.89 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.342 0.592 . . . . 0.0 110.526 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.25 -37.75 75.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -65.87 -40.65 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.599 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.25 58.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.61 -54.59 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 64.9 m-70 -76.27 136.14 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.305 0.574 . . . . 0.0 111.437 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -83.29 -134.98 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.35 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.3 pt -69.31 2.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 120.909 0.385 . . . . 0.0 112.006 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -97.39 -3.89 39.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.059 0.457 . . . . 0.0 109.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 49.0 t80 -67.89 124.73 24.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.082 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 -99.74 -76.44 0.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 38.6 ptt180 -143.33 172.35 12.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.318 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.702 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.46 148.11 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.975 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -164.1 165.05 22.64 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.1 t -97.24 123.9 41.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.213 0.53 . . . . 0.0 109.893 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.93 120.0 41.09 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.852 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 67.24 -87.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.797 0.685 . . . . 0.0 110.106 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.7 t -150.55 27.34 0.74 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -139.98 151.2 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.402 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.76 128.44 35.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.848 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -113.67 119.37 37.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -100.39 133.68 44.46 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.177 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.448 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.7 t -107.06 124.17 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -160.77 152.19 19.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.322 0.582 . . . . 0.0 110.816 179.144 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.616 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 20.9 t-20 . . . . . 0 N--CA 1.46 0.037 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.71 -55.03 30.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -60.46 -46.35 90.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.773 0.32 . . . . 0.0 110.214 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.616 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 52.4 m -59.49 -42.69 92.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -67.33 -47.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.376 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.687 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 55.2 t-105 -57.23 -48.44 78.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.302 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.61 95.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.281 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -63.13 -52.45 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.92 -39.31 94.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.487 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -66.82 -41.28 87.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.671 0.272 . . . . 0.0 111.628 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.78 61.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.872 0.367 . . . . 0.0 111.55 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.07 -47.89 64.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.974 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -79.75 143.52 34.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -81.71 -139.86 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.871 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.508 HG13 ' CD1' ' A' ' 18' ' ' TYR . 35.6 pt -71.21 -1.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD1' HG13 ' A' ' 17' ' ' ILE . 5.5 m-85 -98.75 15.3 25.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 110.771 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -76.13 127.81 33.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.647 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -99.03 -78.99 0.49 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.505 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 40.2 ptt180 -142.93 173.89 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 110.566 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.91 142.13 33.03 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -160.15 172.51 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.6 118.29 33.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.535 0.683 . . . . 0.0 110.337 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.1 t70 -106.44 117.06 33.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.329 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 65.21 -86.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.758 0.661 . . . . 0.0 110.012 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -150.86 29.66 0.66 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.555 0.693 . . . . 0.0 109.343 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 17.9 pt20 -137.48 150.14 47.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.908 -178.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.44 120.54 21.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -108.11 123.89 49.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.926 0.393 . . . . 0.0 110.157 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.3 132.55 44.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.688 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.505 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.4 t -109.78 127.6 66.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -159.37 151.6 21.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.142 0.496 . . . . 0.0 111.186 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 18' ' ' TYR . 5.3 m . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.146 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.3 t-20 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.613 0.244 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.15 -52.26 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.403 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -58.93 -45.19 91.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 110.285 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.649 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 49.5 m -63.17 -44.76 94.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.821 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -61.87 -45.63 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.331 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.575 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.8 t-105 -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.047 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.934 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -60.02 -48.05 83.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 111.132 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.3 m -68.44 -42.01 79.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.023 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.79 -33.02 71.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.656 0.265 . . . . 0.0 111.696 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.883 0.373 . . . . 0.0 110.68 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 -55.07 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.345 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -83.76 120.46 26.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.317 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.8 m -89.24 -107.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.487 HG13 ' CD1' ' A' ' 18' ' ' TYR . 24.4 pt -73.09 -9.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.5 m-85 -97.75 3.67 50.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.116 0.484 . . . . 0.0 109.954 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -77.1 127.43 32.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.765 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -98.91 -79.55 0.48 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 30.8 ptt180 -143.29 178.23 7.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.783 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.97 148.08 38.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 11.8 p90 -165.49 166.73 18.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.23 118.34 33.46 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.341 0.591 . . . . 0.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 66.1 t0 -99.97 116.49 32.15 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 65.2 -86.86 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.825 0.703 . . . . 0.0 110.062 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 p -151.25 30.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.76 0.791 . . . . 0.0 108.999 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.51 141.61 41.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.102 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.52 125.15 25.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -113.41 124.22 51.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 0.0 110.455 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.14 131.93 46.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.521 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 14.6 t -105.12 129.61 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -158.87 155.15 27.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 110.946 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.315 -0.9 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.804 179.243 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.5 t30 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -52.03 -54.97 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.98 -41.81 99.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.214 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -63.8 -45.23 90.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.105 0.479 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.49 -43.63 93.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.776 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 58.8 t-105 -57.39 -48.11 79.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.93 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -64.93 -52.94 53.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.803 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 72.2 m -64.34 -40.12 95.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.896 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.88 -37.9 89.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.922 0.392 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.65 -46.04 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.171 0.51 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.1 -51.88 58.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.845 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -93.68 130.41 39.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.796 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -77.48 -130.02 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.24 2.52 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -97.4 -10.13 26.06 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.9 t80 -64.68 126.32 27.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.204 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 22.0 tpp180 -99.0 -74.41 0.59 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 39.2 ptt180 -143.27 169.77 17.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.776 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.22 35.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -160.16 165.66 31.22 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.699 0.285 . . . . 0.0 110.603 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.27 113.63 25.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.219 0.533 . . . . 0.0 110.088 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -99.23 112.84 24.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 63.43 -87.62 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 O-C-N 123.78 0.675 . . . . 0.0 110.07 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.8 t -150.94 33.21 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -139.36 131.17 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.142 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.52 124.4 22.69 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.042 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -111.64 122.98 49.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.882 0.372 . . . . 0.0 110.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.2 m -103.33 133.24 48.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.572 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.484 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 16.5 t -110.56 131.22 62.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -164.26 155.39 15.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.09 0.471 . . . . 0.0 111.328 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.61 178.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.597 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 2.0 t-20 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.46 -51.84 65.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.608 0.242 . . . . 0.0 111.057 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -58.86 -41.84 87.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.597 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 19.5 p -66.72 -45.17 79.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.246 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.49 -46.14 89.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.478 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.9 t-105 -57.71 -47.48 82.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.212 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.24 97.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.193 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 47.5 m -62.75 -50.6 70.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.74 -40.69 95.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.567 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -37.33 85.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.09 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.12 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 10' ' ' THR . 89.9 mt-30 -66.11 -40.32 90.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.965 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 93.3 m-70 -107.05 129.07 54.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.91 0.386 . . . . 0.0 111.705 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -79.93 -121.81 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.692 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -70.35 -1.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.721 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -97.76 -7.61 30.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.393 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.0 t80 -67.78 124.86 24.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -99.73 -77.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.486 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 17.3 ptt180 -143.99 -178.02 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.017 178.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.32 153.18 43.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.34 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.418 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -166.71 163.66 16.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.141 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.18 120.47 38.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 62.2 t0 -99.15 111.48 23.86 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 66.6 -85.48 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.146 0 O-C-N 123.845 0.716 . . . . 0.0 109.861 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 t -150.66 33.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -139.69 134.0 31.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.944 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.1 t -65.52 124.68 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -116.48 124.13 49.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.01 0.433 . . . . 0.0 110.038 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.3 m -99.44 134.95 41.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.343 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.486 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 15.5 t -102.4 129.53 53.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.92 153.91 28.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.377 0.608 . . . . 0.0 111.797 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.15 178.67 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.409 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 56.4 t30 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.9 -56.02 25.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.91 -41.17 91.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 111.096 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 24.1 m -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 t -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.037 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.684 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.6 t-105 -56.78 -48.24 78.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.098 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.87 99.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.433 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -63.12 -50.46 70.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -63.72 -42.04 97.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.67 70.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.899 0.38 . . . . 0.0 111.315 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.46 -52.28 10.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.003 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -78.61 137.61 37.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -80.17 -129.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.84 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.4 pt -77.56 2.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -98.1 0.89 46.94 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -68.34 125.18 25.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.798 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.7 tpm_? -99.55 -75.22 0.57 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.988 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 20.6 ptt180 -143.46 170.18 16.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.684 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.48 145.02 34.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -163.32 171.91 15.43 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.2 117.83 33.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.228 0.537 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -99.38 107.89 20.25 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 67.51 -84.74 0.03 OUTLIER 'General case' 0 C--O 1.231 0.094 0 O-C-N 123.919 0.762 . . . . 0.0 109.746 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -150.39 31.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.717 0.77 . . . . 0.0 109.228 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.82 139.26 44.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.116 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 t -71.15 119.7 15.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -109.45 125.71 52.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.913 0.387 . . . . 0.0 110.658 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.4 m -102.43 133.52 47.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.184 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 19.3 t -111.53 133.37 57.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -155.42 151.37 27.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.935 0.398 . . . . 0.0 111.089 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.885 179.699 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.7 t30 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -58.89 -54.85 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.954 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -58.65 -39.5 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 t -62.84 -46.82 86.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.106 0.479 . . . . 0.0 109.974 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.29 -45.7 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.613 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.685 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 57.0 t-105 -57.43 -49.93 74.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -43.47 96.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.367 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -60.49 -46.7 89.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.028 0.442 . . . . 0.0 111.429 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.53 -37.8 74.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.2 -41.54 94.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.779 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.44 76.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.734 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -70.33 -52.22 24.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.0 m-70 -83.02 135.46 34.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.955 0.407 . . . . 0.0 111.896 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -83.45 -132.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.0 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 18' ' ' TYR . 38.7 pt -68.79 -1.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.174 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 5.8 m-85 -97.64 -3.09 40.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.031 0.443 . . . . 0.0 109.822 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 46.6 t80 -68.94 124.16 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.484 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -100.48 -74.61 0.6 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.854 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 36.3 ptt180 -143.11 176.25 9.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.685 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.88 141.81 33.06 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.416 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 13.4 p90 -156.22 162.8 40.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.828 0.346 . . . . 0.0 110.257 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.77 120.53 38.32 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.543 0.687 . . . . 0.0 109.528 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 6.3 t70 -99.15 115.01 28.08 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 66.4 -85.92 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.964 0.79 . . . . 0.0 109.626 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 p -150.93 32.69 0.6 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -140.13 138.48 35.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.426 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.31 126.83 30.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' ' 30' ' ' LYS . 15.0 tppt? -116.97 126.77 53.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.4 m -99.58 135.3 41.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.6 t -109.52 125.96 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -151.4 149.64 29.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.223 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.425 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 9.5 m . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.439 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -55.66 -55.55 30.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -61.83 -44.47 96.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.762 0.315 . . . . 0.0 111.416 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -62.89 -43.86 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -64.0 -45.17 90.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.542 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.728 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.2 t-105 -57.03 -46.49 82.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.31 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.39 94.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.887 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 m -61.6 -52.45 64.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.539 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.6 m -63.09 -41.39 99.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.822 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -67.27 -42.75 83.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.33 . . . . 0.0 111.597 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.42 75.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -50.76 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -82.32 138.77 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.3 p -76.16 -135.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.142 0.496 . . . . 0.0 112.11 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 pt -73.73 2.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.737 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -96.79 -1.52 46.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.921 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.25 127.6 32.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.315 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -99.2 -78.41 0.5 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 32.8 ptt180 -143.02 174.02 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.153 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.728 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.69 149.5 38.91 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -164.32 167.9 19.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.858 0.361 . . . . 0.0 110.765 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.48 111.85 23.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.124 0.487 . . . . 0.0 110.255 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -100.31 110.03 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 64.03 -86.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.783 0.677 . . . . 0.0 110.733 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -149.75 34.03 0.69 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -140.53 139.22 35.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.287 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -73.86 118.65 17.06 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -103.2 122.14 44.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.891 0.377 . . . . 0.0 110.214 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.0 m -101.65 130.08 47.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.472 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.9 t -109.3 132.36 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -159.53 156.19 27.72 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.66 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.686 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.5 t-20 . . . . . 0 C--O 1.227 -0.109 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.504 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 12.4 t80 -59.66 -56.89 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.5 -43.87 97.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.541 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.686 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 47.5 m -62.42 -39.49 93.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.383 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 -43.03 91.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.79 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.901 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.1 t-105 -55.01 -49.72 70.81 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.86 99.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.313 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -61.22 -51.34 69.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.368 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -63.89 -40.92 97.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -66.45 -35.17 79.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.194 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.9 64.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.776 0.322 . . . . 0.0 111.479 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -70.61 -52.2 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.049 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -77.87 139.75 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.984 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -77.22 -136.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.366 0.603 . . . . 0.0 111.985 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG13 ' CD1' ' A' ' 18' ' ' TYR . 41.7 pt -76.53 5.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.234 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.404 ' CD1' HG13 ' A' ' 17' ' ' ILE . 2.9 m-85 -97.39 -4.42 38.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.174 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.92 127.56 31.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.328 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -98.01 -77.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 34.5 ptt180 -142.94 170.68 15.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.802 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.901 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.1 35.32 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.504 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 22.2 p90 -162.17 163.21 28.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.64 115.28 28.32 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -104.24 125.09 50.22 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 61.09 -90.66 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.779 0.674 . . . . 0.0 109.822 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 p -150.22 34.44 0.65 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -139.27 137.92 36.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.282 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.7 t -74.66 122.42 23.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -111.96 128.37 56.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.552 . . . . 0.0 111.051 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.0 m -105.31 132.26 51.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.333 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.468 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 21.2 t -112.17 133.64 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -164.1 156.32 16.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 110.978 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.154 178.847 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.707 0.289 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 36.4 t80 -60.85 -50.78 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.642 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.7 -40.27 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.352 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -64.65 -48.03 76.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.11 -48.53 81.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.6 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.13 97.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.318 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.9 m -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.945 0.402 . . . . 0.0 110.951 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.0 m -64.78 -40.42 95.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.74 -38.81 90.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -76.67 -54.6 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.1 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 65.8 m-70 -88.22 127.59 35.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.46 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -89.93 -117.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.278 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.8 pt -68.28 -9.36 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.484 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.1 m-85 -95.82 -3.44 45.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.5 t80 -72.62 125.24 27.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.658 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -99.3 -75.18 0.57 Allowed 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.511 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 26.7 ptt180 -142.86 178.48 7.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.916 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.77 149.0 39.86 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -163.68 160.96 23.31 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 123.426 0.454 . . . . 0.0 109.791 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.45 120.5 38.97 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.719 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.411 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 36.3 t70 -98.57 121.58 40.69 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 64.14 -89.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.662 0.601 . . . . 0.0 109.435 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.8 m -149.11 30.12 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -137.35 138.31 39.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.68 132.5 48.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.41 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -125.02 128.65 48.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -103.13 136.5 42.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.019 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 20.9 t -104.29 123.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -156.76 149.99 24.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 111.116 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.692 179.355 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.754 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 18.7 t-20 . . . . . 0 C--O 1.226 -0.134 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -59.88 -58.21 9.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -61.09 -44.74 96.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 0.0 110.339 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.754 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 73.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.21 -45.45 80.66 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.822 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 62.9 t-105 -54.98 -49.86 70.4 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.195 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.67 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.901 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 m -60.09 -51.87 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.339 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.2 m -63.72 -40.65 97.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -65.54 -38.43 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -46.71 59.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.898 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -84.59 141.17 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 0.0 112.063 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -79.53 -134.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.077 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.512 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.7 pt -74.68 -4.59 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.512 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.8 m-85 -98.87 16.04 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 0.0 110.658 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -75.35 127.07 32.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.559 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -99.59 -80.63 0.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -141.9 173.14 11.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.946 0.403 . . . . 0.0 110.586 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.54 148.96 38.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.527 -0.76 . . . . 0.0 108.991 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -159.08 165.2 34.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.733 0.301 . . . . 0.0 110.708 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.4 t -96.43 117.73 31.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -105.52 110.27 22.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 64.76 -85.87 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.674 0.609 . . . . 0.0 110.581 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.6 t -150.67 32.27 0.63 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -140.69 138.39 34.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.347 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.36 124.56 25.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -110.79 122.64 48.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.8 m -100.32 135.73 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.7 t -113.42 126.85 70.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.89 149.71 27.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.028 0.442 . . . . 0.0 111.224 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.046 179.371 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.511 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 17.0 t-20 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.679 0.276 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -62.28 -48.79 78.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.997 0.427 . . . . 0.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.59 -41.26 98.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.511 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 72.7 p -65.42 -41.85 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.36 -45.18 92.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.654 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.558 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 57.2 t-105 -57.31 -45.75 83.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.14 92.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 m -61.28 -50.84 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.832 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.7 m -61.1 -40.36 93.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.084 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -68.68 -32.12 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.051 0.453 . . . . 0.0 110.626 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -42.32 63.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 0.0 110.545 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -73.07 -45.61 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.636 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -97.7 127.89 43.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.977 0.417 . . . . 0.0 111.843 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -83.16 -123.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.605 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.502 HG13 ' CD1' ' A' ' 18' ' ' TYR . 32.5 pt -68.6 -3.81 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.1 m-85 -98.25 -0.68 43.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.836 0.35 . . . . 0.0 110.409 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.6 126.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.801 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -99.51 -80.55 0.47 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 30.7 ptt180 -143.04 178.51 7.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.828 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.25 151.59 42.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.046 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -167.86 160.11 12.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.779 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -97.36 123.48 41.2 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -99.7 114.81 28.15 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 67.03 -86.94 0.03 OUTLIER 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.823 0.702 . . . . 0.0 109.519 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 p -150.37 29.49 0.7 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.643 0.735 . . . . 0.0 109.436 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -134.21 139.01 45.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.954 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -117.76 123.84 46.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.4 m -102.05 134.32 45.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.865 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 12.9 t -106.09 129.93 58.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -160.04 156.63 27.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.317 -0.829 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.178 179.134 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 p -142.5 138.71 31.14 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -125.1 128.8 49.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.728 0.299 . . . . 0.0 110.535 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 38.3 t80 -61.56 -53.03 61.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.629 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -61.55 -45.68 93.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.432 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -63.33 -42.6 98.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.374 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.9 t -64.1 -44.47 92.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.044 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.707 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.3 t-105 -56.93 -49.48 75.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.393 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.43 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.4 m -62.09 -48.85 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.069 0.462 . . . . 0.0 111.254 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.9 m -65.28 -43.41 91.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.821 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -66.95 -39.09 87.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.616 0.246 . . . . 0.0 111.472 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.14 87.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.758 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.64 -53.59 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -72.63 139.31 47.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.712 0.292 . . . . 0.0 111.276 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -84.81 -133.46 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 0.0 112.153 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 pt -74.59 1.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.539 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -96.67 -4.28 41.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.459 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.73 126.4 29.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.515 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -97.96 -76.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 39.8 ptt180 -144.07 174.42 10.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.203 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.707 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.47 145.65 35.5 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 4.5 p90 -165.53 -179.59 5.54 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.68 113.72 25.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 28.6 t70 -97.38 115.0 26.9 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 65.1 -86.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.999 0.812 . . . . 0.0 109.28 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 p -151.01 30.07 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.675 0.75 . . . . 0.0 109.159 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -137.07 147.53 46.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.585 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.94 122.56 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -117.49 125.98 51.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.008 0.432 . . . . 0.0 110.915 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.6 m -99.92 133.16 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.438 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 12.9 t -108.79 130.23 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -160.96 150.92 17.43 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 m -99.36 156.97 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.105 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -91.77 -40.88 10.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.165 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.328 -1.262 . . . . 0.0 111.368 179.884 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.823 0.344 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.5 t -152.87 127.26 9.26 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.474 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 14.9 t-20 -141.78 138.37 32.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.42 -57.25 13.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -60.51 -39.99 89.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 43.3 t -65.89 -44.81 84.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -59.92 -42.77 94.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.174 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.794 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.53 -48.97 76.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.87 97.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.191 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -59.45 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.6 m -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -65.1 -40.33 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.334 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.63 57.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.516 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -51.84 37.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 76.3 m-70 -82.59 136.47 34.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 111.653 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -79.06 -136.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.866 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.1 pt -72.48 2.15 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -95.88 -3.74 44.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 47.0 t80 -66.91 126.42 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.582 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.0 -75.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.54 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 35.0 ptt180 -143.37 174.36 10.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.909 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.794 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.28 144.69 33.4 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -157.94 158.89 35.84 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.134 0.492 . . . . 0.0 110.769 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -97.69 117.74 32.66 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.797 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.93 119.62 39.97 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 62.92 -87.87 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.805 0.691 . . . . 0.0 110.085 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -150.42 32.68 0.64 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -139.1 134.12 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.553 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.17 121.72 22.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -110.28 125.91 53.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -100.83 134.81 43.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.627 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.54 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 15.4 t -107.77 129.98 60.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.77 157.42 18.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.951 0.405 . . . . 0.0 111.13 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.51 157.45 3.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.307 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 4.0 mmp_? -139.47 47.46 1.87 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.913 -178.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.427 -1.207 . . . . 0.0 111.609 179.475 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.81 0.338 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.1 p -151.18 142.75 23.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.0 t-20 -119.94 127.98 53.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.883 0.373 . . . . 0.0 110.753 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -61.96 -50.35 72.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.112 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -60.78 -46.7 89.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 110.23 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 39.9 t -61.87 -43.22 99.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.081 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 t -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.904 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.631 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.4 t-105 -58.54 -47.64 83.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.139 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.285 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.2 m -63.8 -51.3 65.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -61.42 -39.12 89.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.317 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -67.61 -40.23 84.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -39.46 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.079 0.466 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -72.05 -54.8 8.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.666 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 92.8 m-70 -87.05 138.57 31.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -82.26 -130.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.147 0.499 . . . . 0.0 112.133 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.2 pt -71.25 -0.29 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.766 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.431 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 6.9 m-85 -96.35 -7.34 35.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 45.5 t80 -64.24 125.84 25.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.158 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.501 HH21 HG11 ' A' ' 34' ' ' VAL . 23.2 tpp180 -100.34 -75.56 0.57 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -142.79 175.73 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.967 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.95 146.6 35.83 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 9.8 p90 -162.62 164.28 26.73 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 123.221 0.326 . . . . 0.0 110.304 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -97.93 120.4 38.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.223 0.535 . . . . 0.0 109.855 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.465 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 52.9 t0 -109.1 131.42 55.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 64.03 -95.18 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 p -150.54 31.3 0.65 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.469 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 t -69.3 129.77 40.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -117.92 127.31 53.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.943 0.401 . . . . 0.0 110.138 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.1 m -102.31 135.34 44.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.353 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.42 133.63 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -158.67 157.72 32.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.273 0.559 . . . . 0.0 111.617 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.501 HG11 HH21 ' A' ' 20' ' ' ARG . 6.8 m -98.99 167.3 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.393 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -150.78 50.71 0.86 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.286 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.677 -1.068 . . . . 0.0 111.991 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 33.2 t -150.25 126.48 10.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.998 0.428 . . . . 0.0 110.362 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.515 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 29.5 t-20 -141.25 143.17 33.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.24 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.65 -49.12 75.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.917 0.389 . . . . 0.0 111.104 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -66.83 -43.93 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.823 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.515 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 85.7 p -64.94 -43.66 92.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.174 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.35 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.033 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 61.6 t-105 -56.82 -47.29 80.64 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.142 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.35 96.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.867 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -62.04 -50.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.77 -39.55 94.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.083 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -65.45 -37.49 87.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.96 -44.31 27.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.071 0.462 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -63.5 -49.74 72.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.91 140.03 30.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.434 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -78.04 -137.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.369 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 18' ' ' TYR . 39.7 pt -68.97 -3.52 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.551 ' CD1' HG13 ' A' ' 17' ' ' ILE . 3.2 m-85 -98.0 9.46 42.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.823 0.344 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -68.8 125.42 26.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.766 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -99.65 -76.04 0.55 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -142.43 169.79 16.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.939 0.399 . . . . 0.0 110.446 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.18 147.86 37.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.406 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -161.9 160.74 28.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.805 0.336 . . . . 0.0 110.41 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -97.81 114.51 26.56 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -99.31 118.21 35.46 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 64.4 -86.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.791 0.682 . . . . 0.0 110.246 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -151.59 32.85 0.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -140.49 138.43 34.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.647 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.1 t -70.5 127.74 33.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 1.5 tpmt? -118.94 121.6 40.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.0 110.362 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.24 135.05 43.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.11 0.481 . . . . 0.0 111.466 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.77 128.21 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -160.1 153.7 22.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.218 0.532 . . . . 0.0 111.462 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -99.39 167.67 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.889 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -150.07 44.45 0.89 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.119 0.485 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.876 0 CA-C-O 119.166 -0.797 . . . . 0.0 111.177 179.532 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.879 0.371 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.4 p -152.49 142.73 22.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.986 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 21.3 t-20 -123.77 126.56 46.7 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.039 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -63.65 -43.28 97.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.613 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 51.9 m -62.84 -40.79 98.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.125 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.65 -43.17 94.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.746 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 54.1 t-105 -57.48 -48.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.231 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.124 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.0 m -62.52 -50.07 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.364 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 92.3 m -64.03 -41.52 97.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.392 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.48 -35.29 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.972 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.33 78.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -77.32 -48.24 17.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.558 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.643 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 20.4 m80 -99.69 50.65 0.92 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -56.24 -59.87 4.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.01 -32.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.713 ' HD2' HG23 ' A' ' 34' ' ' VAL . 35.0 m-85 -122.85 33.91 5.28 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.619 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.643 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 41.7 t80 -68.88 131.5 45.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.576 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.533 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.3 tpm_? -107.03 -81.34 0.56 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 38.9 ptt180 -143.55 168.12 20.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.049 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.76 148.35 38.83 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -165.7 172.74 11.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.737 0.303 . . . . 0.0 110.768 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.4 t -97.41 123.02 41.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -108.55 114.03 27.53 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 65.76 -84.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.752 0.658 . . . . 0.0 110.008 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 28.38 0.73 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -139.49 145.85 39.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 t -70.41 124.49 24.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.345 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -111.69 124.45 52.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.928 0.394 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.58 132.7 44.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.741 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 21' ' ' ARG . 24.6 t -115.64 131.23 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -155.55 150.57 26.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.781 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.713 HG23 ' HD2' ' A' ' 18' ' ' TYR . 7.5 m -98.39 171.17 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -116.55 -37.83 3.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.926 -0.93 . . . . 0.0 111.387 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.666 0.27 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -150.74 125.93 9.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.353 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.415 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 47.9 t30 -142.31 142.19 32.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 32.7 t80 -56.12 -48.54 76.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.93 -44.94 94.69 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.415 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 74.6 p -66.27 -43.42 86.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.383 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.91 -44.55 97.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.431 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.26 -48.91 75.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.5 97.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.152 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -61.14 -50.38 73.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.5 m -64.51 -39.24 93.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -63.67 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.262 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.73 -52.42 17.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.24 -50.94 62.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.196 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -81.04 130.72 35.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.718 0.294 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -78.23 -132.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.203 0.525 . . . . 0.0 111.412 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.443 HG13 ' CD1' ' A' ' 18' ' ' TYR . 28.4 pt -70.71 -2.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.395 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.637 ' CD2' HG23 ' A' ' 34' ' ' VAL . 5.5 m-85 -97.43 4.15 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.252 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.47 124.22 23.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.271 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.16 -74.11 0.6 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -143.84 171.73 13.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.871 0.367 . . . . 0.0 110.477 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.62 154.27 45.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.17 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 25.8 p90 -167.26 162.96 15.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -97.57 115.37 27.73 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 59.3 t0 -98.05 109.53 22.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.801 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 65.25 -84.59 0.03 OUTLIER 'General case' 0 C--O 1.23 0.066 0 O-C-N 123.956 0.785 . . . . 0.0 110.074 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -150.36 32.05 0.66 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -138.74 134.58 33.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.275 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.57 118.84 13.88 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -108.59 122.41 47.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.2 133.75 44.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.326 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -108.13 131.35 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -163.75 156.55 18.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.312 0.577 . . . . 0.0 111.496 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.637 HG23 ' CD2' ' A' ' 18' ' ' TYR . 5.4 m -99.08 162.83 2.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.734 178.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -109.29 -38.38 5.51 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.109 0.481 . . . . 0.0 110.689 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.201 -1.333 . . . . 0.0 111.031 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.742 0.306 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.7 137.81 40.37 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.593 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.9 t-20 -107.09 131.43 54.12 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.21 -52.91 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.777 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.76 -41.2 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 32.2 t -62.7 -43.0 99.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.757 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.44 -48.17 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.159 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.717 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.4 -49.3 74.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.02 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.398 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.2 m -60.96 -50.18 74.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.5 m -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.419 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -65.86 -38.95 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.75 66.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -51.71 34.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.033 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -88.8 123.51 33.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.546 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -82.0 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 0.0 111.718 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 pt -68.2 -1.13 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.773 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.4 -15.96 20.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 65.0 t80 -64.01 130.51 44.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.695 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -107.72 -71.69 0.75 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -143.35 170.03 16.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.777 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.717 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 145.48 34.6 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -163.69 162.85 24.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.15 125.33 43.12 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.014 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -107.41 125.41 51.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 65.09 -93.11 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 m -150.64 34.47 0.62 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -140.29 137.74 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.908 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.05 131.63 46.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.096 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -118.33 123.23 44.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.892 0.377 . . . . 0.0 110.127 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 78.9 m -101.45 134.08 45.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.29 132.07 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -159.94 162.91 34.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.102 0.477 . . . . 0.0 111.169 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.5 m -97.82 160.09 3.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.511 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -89.28 -27.96 20.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.042 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.537 -1.146 . . . . 0.0 111.852 179.706 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.181 0.515 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.2 p -150.44 131.38 14.25 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.587 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.4 t-20 -111.4 132.35 54.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.783 -178.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -64.53 -52.66 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.44 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -59.8 -42.26 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.587 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 28.8 t -65.29 -42.7 92.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.64 -48.07 78.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.935 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.8 t-105 -57.62 -47.01 83.4 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.766 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.92 -46.24 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.277 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.2 m -62.47 -48.37 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.63 -40.44 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.49 -42.39 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.65 87.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.209 0.528 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.071 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 86.6 m-70 -92.56 126.02 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 111.661 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.3 -120.53 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.432 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.558 HG13 ' CD1' ' A' ' 18' ' ' TYR . 27.5 pt -66.57 -8.98 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.558 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.7 m-85 -97.4 -1.05 45.21 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.549 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.5 t80 -71.42 122.38 20.27 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.048 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -99.83 -71.97 0.68 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 35.5 ptt180 -143.31 171.71 13.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.13 148.05 37.67 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 21.9 p90 -166.69 167.47 15.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.98 116.87 31.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 9.4 t70 -99.59 115.35 29.18 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 64.78 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.822 0.701 . . . . 0.0 110.163 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -150.59 29.84 0.68 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.338 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -137.28 140.75 41.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.632 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 t -72.02 126.26 29.31 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -115.43 123.44 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.981 0.42 . . . . 0.0 110.554 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.45 133.57 43.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.355 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 21.6 t -108.65 123.19 64.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -154.58 150.96 28.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.5 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.431 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 11.4 m -99.39 164.58 2.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.022 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -116.84 -36.49 3.85 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.442 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.038 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.6 p -152.02 146.18 25.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.857 0.36 . . . . 0.0 110.628 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.588 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.1 t-20 -113.75 129.39 56.58 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.01 -56.88 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -60.22 -40.82 91.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.905 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.588 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 48.4 t -60.34 -45.57 92.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.15 -46.48 87.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.063 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.702 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 65.5 t-105 -54.77 -50.25 68.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.241 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.52 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.16 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.7 m -59.71 -48.89 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.342 0.592 . . . . 0.0 110.526 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.25 -37.75 75.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -65.87 -40.65 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.599 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.25 58.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.61 -54.59 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 64.9 m-70 -76.27 136.14 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.305 0.574 . . . . 0.0 111.437 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -83.29 -134.98 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.35 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.3 pt -69.31 2.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 120.909 0.385 . . . . 0.0 112.006 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -97.39 -3.89 39.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.059 0.457 . . . . 0.0 109.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 49.0 t80 -67.89 124.73 24.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.082 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 -99.74 -76.44 0.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 38.6 ptt180 -143.33 172.35 12.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.318 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.702 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.46 148.11 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.975 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -164.1 165.05 22.64 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.1 t -97.24 123.9 41.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.213 0.53 . . . . 0.0 109.893 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.93 120.0 41.09 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.852 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 67.24 -87.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.797 0.685 . . . . 0.0 110.106 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.7 t -150.55 27.34 0.74 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -139.98 151.2 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.402 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.76 128.44 35.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.848 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -113.67 119.37 37.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -100.39 133.68 44.46 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.177 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.7 t -107.06 124.17 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -160.77 152.19 19.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 m -99.06 158.18 3.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.322 0.582 . . . . 0.0 110.816 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.1 mtm-85 -110.92 -37.02 5.51 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.895 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.012 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.0 p -116.98 146.28 43.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.8 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.616 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 20.9 t-20 -130.01 134.59 47.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.71 -55.03 30.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -60.46 -46.35 90.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.773 0.32 . . . . 0.0 110.214 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.616 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 52.4 m -59.49 -42.69 92.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -67.33 -47.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.376 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.687 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 55.2 t-105 -57.23 -48.44 78.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.302 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.61 95.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.281 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -63.13 -52.45 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.92 -39.31 94.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.487 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -66.82 -41.28 87.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.671 0.272 . . . . 0.0 111.628 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.78 61.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.872 0.367 . . . . 0.0 111.55 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.07 -47.89 64.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.974 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -79.75 143.52 34.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -81.71 -139.86 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.871 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.508 HG13 ' CD1' ' A' ' 18' ' ' TYR . 35.6 pt -71.21 -1.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD1' HG13 ' A' ' 17' ' ' ILE . 5.5 m-85 -98.75 15.3 25.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 110.771 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -76.13 127.81 33.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.647 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -99.03 -78.99 0.49 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.505 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 40.2 ptt180 -142.93 173.89 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 110.566 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.91 142.13 33.03 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -160.15 172.51 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.6 118.29 33.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.535 0.683 . . . . 0.0 110.337 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.1 t70 -106.44 117.06 33.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.329 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 65.21 -86.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.758 0.661 . . . . 0.0 110.012 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -150.86 29.66 0.66 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.555 0.693 . . . . 0.0 109.343 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 17.9 pt20 -137.48 150.14 47.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.908 -178.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.44 120.54 21.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -108.11 123.89 49.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.926 0.393 . . . . 0.0 110.157 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.3 132.55 44.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.688 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.505 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.4 t -109.78 127.6 66.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -159.37 151.6 21.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.142 0.496 . . . . 0.0 111.186 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 18' ' ' TYR . 5.3 m -100.54 161.02 3.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.146 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -109.06 -4.28 16.74 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.251 0.548 . . . . 0.0 110.563 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.75 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.963 0.411 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 p -92.1 130.19 37.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.3 t-20 -106.23 131.76 53.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.908 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.15 -52.26 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.403 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -58.93 -45.19 91.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 110.285 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.649 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 49.5 m -63.17 -44.76 94.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.821 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -61.87 -45.63 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.331 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.575 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.8 t-105 -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.047 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.934 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -60.02 -48.05 83.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 111.132 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.3 m -68.44 -42.01 79.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.023 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.79 -33.02 71.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.656 0.265 . . . . 0.0 111.696 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.883 0.373 . . . . 0.0 110.68 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 -55.07 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.345 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -83.76 120.46 26.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.317 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.8 m -89.24 -107.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.487 HG13 ' CD1' ' A' ' 18' ' ' TYR . 24.4 pt -73.09 -9.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.5 m-85 -97.75 3.67 50.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.116 0.484 . . . . 0.0 109.954 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -77.1 127.43 32.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.765 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -98.91 -79.55 0.48 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 30.8 ptt180 -143.29 178.23 7.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.783 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.97 148.08 38.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 11.8 p90 -165.49 166.73 18.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.23 118.34 33.46 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.341 0.591 . . . . 0.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 66.1 t0 -99.97 116.49 32.15 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 65.2 -86.86 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.825 0.703 . . . . 0.0 110.062 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 p -151.25 30.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.76 0.791 . . . . 0.0 108.999 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.51 141.61 41.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.102 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.52 125.15 25.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -113.41 124.22 51.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 0.0 110.455 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.14 131.93 46.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.521 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 14.6 t -105.12 129.61 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -158.87 155.15 27.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 110.946 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -98.0 160.52 3.07 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.804 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -112.67 -34.82 5.69 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.044 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.561 -1.133 . . . . 0.0 111.856 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.804 0.335 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 t -150.2 121.32 7.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -141.72 141.18 33.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.757 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -52.03 -54.97 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.98 -41.81 99.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.214 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -63.8 -45.23 90.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.105 0.479 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.49 -43.63 93.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.776 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 58.8 t-105 -57.39 -48.11 79.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.93 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -64.93 -52.94 53.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.803 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 72.2 m -64.34 -40.12 95.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.896 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.88 -37.9 89.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.922 0.392 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.65 -46.04 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.171 0.51 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.1 -51.88 58.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.845 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -93.68 130.41 39.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.796 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -77.48 -130.02 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.24 2.52 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -97.4 -10.13 26.06 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.9 t80 -64.68 126.32 27.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.204 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 22.0 tpp180 -99.0 -74.41 0.59 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 39.2 ptt180 -143.27 169.77 17.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.776 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.22 35.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -160.16 165.66 31.22 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.699 0.285 . . . . 0.0 110.603 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.27 113.63 25.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.219 0.533 . . . . 0.0 110.088 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -99.23 112.84 24.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 63.43 -87.62 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 O-C-N 123.78 0.675 . . . . 0.0 110.07 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.8 t -150.94 33.21 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -139.36 131.17 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.142 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.52 124.4 22.69 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.042 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -111.64 122.98 49.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.882 0.372 . . . . 0.0 110.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.2 m -103.33 133.24 48.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.572 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.484 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 16.5 t -110.56 131.22 62.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -164.26 155.39 15.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.09 0.471 . . . . 0.0 111.328 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -98.04 172.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.61 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 mtm105 -136.86 28.5 2.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.309 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.31 -1.272 . . . . 0.0 111.725 -179.669 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.746 0.308 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.8 p -128.71 133.27 48.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.108 0.48 . . . . 0.0 110.619 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.597 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 2.0 t-20 -110.48 130.51 55.54 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.46 -51.84 65.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.608 0.242 . . . . 0.0 111.057 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -58.86 -41.84 87.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.597 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 19.5 p -66.72 -45.17 79.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.246 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.49 -46.14 89.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.478 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.9 t-105 -57.71 -47.48 82.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.212 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.24 97.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.193 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 47.5 m -62.75 -50.6 70.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.74 -40.69 95.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.567 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -37.33 85.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.09 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.12 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 10' ' ' THR . 89.9 mt-30 -66.11 -40.32 90.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.965 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 93.3 m-70 -107.05 129.07 54.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.91 0.386 . . . . 0.0 111.705 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -79.93 -121.81 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.692 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -70.35 -1.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.721 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -97.76 -7.61 30.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.393 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.0 t80 -67.78 124.86 24.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -99.73 -77.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.486 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 17.3 ptt180 -143.99 -178.02 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.017 178.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.32 153.18 43.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.34 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.418 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -166.71 163.66 16.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.141 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.18 120.47 38.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 62.2 t0 -99.15 111.48 23.86 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 66.6 -85.48 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.146 0 O-C-N 123.845 0.716 . . . . 0.0 109.861 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 t -150.66 33.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -139.69 134.0 31.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.944 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.1 t -65.52 124.68 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -116.48 124.13 49.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.01 0.433 . . . . 0.0 110.038 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.3 m -99.44 134.95 41.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.343 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.486 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 15.5 t -102.4 129.53 53.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.92 153.91 28.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.377 0.608 . . . . 0.0 111.797 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -99.21 162.18 2.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.15 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -142.28 36.73 1.53 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.847 0 CA-C-O 118.889 -0.951 . . . . 0.0 111.935 179.654 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 p -89.65 134.89 33.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.073 0.463 . . . . 0.0 111.16 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.409 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 56.4 t30 -126.55 129.41 48.55 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.9 -56.02 25.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.91 -41.17 91.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 111.096 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 24.1 m -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 t -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.037 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.684 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.6 t-105 -56.78 -48.24 78.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.098 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.87 99.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.433 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -63.12 -50.46 70.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -63.72 -42.04 97.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.67 70.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.899 0.38 . . . . 0.0 111.315 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.46 -52.28 10.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.003 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -78.61 137.61 37.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -80.17 -129.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.84 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.4 pt -77.56 2.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -98.1 0.89 46.94 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -68.34 125.18 25.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.798 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.7 tpm_? -99.55 -75.22 0.57 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.988 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 20.6 ptt180 -143.46 170.18 16.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.684 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.48 145.02 34.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -163.32 171.91 15.43 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.2 117.83 33.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.228 0.537 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -99.38 107.89 20.25 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 67.51 -84.74 0.03 OUTLIER 'General case' 0 C--O 1.231 0.094 0 O-C-N 123.919 0.762 . . . . 0.0 109.746 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -150.39 31.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.717 0.77 . . . . 0.0 109.228 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.82 139.26 44.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.116 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 t -71.15 119.7 15.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -109.45 125.71 52.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.913 0.387 . . . . 0.0 110.658 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.4 m -102.43 133.52 47.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.184 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 19.3 t -111.53 133.37 57.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -155.42 151.37 27.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.935 0.398 . . . . 0.0 111.089 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -98.79 164.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.885 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -142.32 45.69 1.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.7 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.943 -0.92 . . . . 0.0 112.079 -179.455 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.829 0.347 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.11 134.91 39.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.994 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -106.96 134.65 49.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -58.89 -54.85 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.954 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -58.65 -39.5 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 t -62.84 -46.82 86.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.106 0.479 . . . . 0.0 109.974 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.29 -45.7 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.613 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.685 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 57.0 t-105 -57.43 -49.93 74.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -43.47 96.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.367 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -60.49 -46.7 89.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.028 0.442 . . . . 0.0 111.429 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.53 -37.8 74.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.2 -41.54 94.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.779 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.44 76.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.734 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -70.33 -52.22 24.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.0 m-70 -83.02 135.46 34.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.955 0.407 . . . . 0.0 111.896 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -83.45 -132.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.0 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 18' ' ' TYR . 38.7 pt -68.79 -1.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.174 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 5.8 m-85 -97.64 -3.09 40.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.031 0.443 . . . . 0.0 109.822 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 46.6 t80 -68.94 124.16 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.484 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -100.48 -74.61 0.6 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.854 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 36.3 ptt180 -143.11 176.25 9.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.685 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.88 141.81 33.06 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 13.4 p90 -156.22 162.8 40.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.828 0.346 . . . . 0.0 110.257 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.77 120.53 38.32 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.543 0.687 . . . . 0.0 109.528 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 6.3 t70 -99.15 115.01 28.08 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 66.4 -85.92 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.964 0.79 . . . . 0.0 109.626 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 p -150.93 32.69 0.6 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -140.13 138.48 35.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.426 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.31 126.83 30.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' ' 30' ' ' LYS . 15.0 tppt? -116.97 126.77 53.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.4 m -99.58 135.3 41.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.6 t -109.52 125.96 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -151.4 149.64 29.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.223 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.425 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 9.5 m -97.87 161.21 2.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.439 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -130.45 40.56 3.5 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.329 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 119.087 -0.841 . . . . 0.0 111.038 -179.568 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.757 0.313 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.4 t -150.53 117.71 5.99 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -140.97 135.4 31.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.111 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -55.66 -55.55 30.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -61.83 -44.47 96.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.762 0.315 . . . . 0.0 111.416 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -62.89 -43.86 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -64.0 -45.17 90.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.542 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.728 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.2 t-105 -57.03 -46.49 82.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.31 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.39 94.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.887 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 m -61.6 -52.45 64.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.539 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.6 m -63.09 -41.39 99.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.822 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -67.27 -42.75 83.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.33 . . . . 0.0 111.597 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.42 75.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -50.76 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -82.32 138.77 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.3 p -76.16 -135.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.142 0.496 . . . . 0.0 112.11 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 pt -73.73 2.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.737 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -96.79 -1.52 46.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.921 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.25 127.6 32.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.315 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -99.2 -78.41 0.5 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 32.8 ptt180 -143.02 174.02 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.153 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.728 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.69 149.5 38.91 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -164.32 167.9 19.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.858 0.361 . . . . 0.0 110.765 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.48 111.85 23.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.124 0.487 . . . . 0.0 110.255 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -100.31 110.03 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 64.03 -86.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.783 0.677 . . . . 0.0 110.733 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -149.75 34.03 0.69 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -140.53 139.22 35.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.287 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -73.86 118.65 17.06 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -103.2 122.14 44.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.891 0.377 . . . . 0.0 110.214 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.0 m -101.65 130.08 47.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.472 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.9 t -109.3 132.36 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.468 ' CE2' ' HD3' ' A' ' 35' ' ' ARG . 36.3 p90 -159.53 156.19 27.72 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.8 m -97.74 161.3 2.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.66 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HD3' ' CE2' ' A' ' 33' ' ' PHE . 46.3 mmm-85 -119.7 35.31 4.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.436 0.636 . . . . 0.0 109.639 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.813 0 CA-C-O 119.003 -0.887 . . . . 0.0 111.084 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.871 0.367 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.2 t -150.17 135.25 17.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.771 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.686 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.5 t-20 -140.57 137.14 33.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.216 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 12.4 t80 -59.66 -56.89 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.5 -43.87 97.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.541 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.686 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 47.5 m -62.42 -39.49 93.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.383 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 -43.03 91.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.79 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.901 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.1 t-105 -55.01 -49.72 70.81 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.86 99.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.313 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -61.22 -51.34 69.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.368 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -63.89 -40.92 97.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -66.45 -35.17 79.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.194 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.9 64.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.776 0.322 . . . . 0.0 111.479 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -70.61 -52.2 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.049 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -77.87 139.75 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.984 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -77.22 -136.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.366 0.603 . . . . 0.0 111.985 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG13 ' CD1' ' A' ' 18' ' ' TYR . 41.7 pt -76.53 5.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.234 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.404 ' CD1' HG13 ' A' ' 17' ' ' ILE . 2.9 m-85 -97.39 -4.42 38.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.174 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.92 127.56 31.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.328 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -98.01 -77.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 34.5 ptt180 -142.94 170.68 15.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.802 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.901 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.1 35.32 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.504 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 22.2 p90 -162.17 163.21 28.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.64 115.28 28.32 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -104.24 125.09 50.22 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 61.09 -90.66 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.779 0.674 . . . . 0.0 109.822 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 p -150.22 34.44 0.65 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -139.27 137.92 36.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.282 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.7 t -74.66 122.42 23.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -111.96 128.37 56.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.552 . . . . 0.0 111.051 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.0 m -105.31 132.26 51.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.333 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.468 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 21.2 t -112.17 133.64 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.443 ' HE2' ' HD3' ' A' ' 35' ' ' ARG . 46.5 p90 -164.1 156.32 16.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 110.978 -177.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.3 m -98.3 165.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.154 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.443 ' HD3' ' HE2' ' A' ' 33' ' ' PHE . 26.5 mmm180 -114.11 -36.71 4.65 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.398 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.811 0 CA-C-O 118.936 -0.924 . . . . 0.0 111.431 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.2 p -150.12 137.34 19.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.073 0.463 . . . . 0.0 110.873 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -104.29 129.25 52.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.447 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 36.4 t80 -60.85 -50.78 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.642 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.7 -40.27 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.352 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -64.65 -48.03 76.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.11 -48.53 81.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.6 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.13 97.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.318 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.9 m -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.945 0.402 . . . . 0.0 110.951 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.0 m -64.78 -40.42 95.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.74 -38.81 90.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -76.67 -54.6 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.1 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 65.8 m-70 -88.22 127.59 35.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.46 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -89.93 -117.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.278 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.8 pt -68.28 -9.36 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.484 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.1 m-85 -95.82 -3.44 45.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.5 t80 -72.62 125.24 27.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.658 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -99.3 -75.18 0.57 Allowed 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 26.7 ptt180 -142.86 178.48 7.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.916 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.77 149.0 39.86 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -163.68 160.96 23.31 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 123.426 0.454 . . . . 0.0 109.791 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.45 120.5 38.97 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.719 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 36.3 t70 -98.57 121.58 40.69 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 64.14 -89.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.662 0.601 . . . . 0.0 109.435 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.8 m -149.11 30.12 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -137.35 138.31 39.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.68 132.5 48.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.41 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -125.02 128.65 48.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -103.13 136.5 42.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.019 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 20.9 t -104.29 123.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -156.76 149.99 24.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 111.116 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m -98.8 170.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.692 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -36.58 3.05 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.674 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 119.166 -0.797 . . . . 0.0 111.145 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.596 0.236 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.4 t -88.54 125.88 34.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.754 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 18.7 t-20 -140.58 138.8 34.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.213 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -59.88 -58.21 9.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -61.09 -44.74 96.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 0.0 110.339 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.754 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 73.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.21 -45.45 80.66 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.822 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 62.9 t-105 -54.98 -49.86 70.4 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.195 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.67 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.901 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 m -60.09 -51.87 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.339 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.2 m -63.72 -40.65 97.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -65.54 -38.43 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -46.71 59.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.898 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -84.59 141.17 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 0.0 112.063 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -79.53 -134.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.077 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.512 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.7 pt -74.68 -4.59 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.512 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.8 m-85 -98.87 16.04 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 0.0 110.658 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -75.35 127.07 32.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.559 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -99.59 -80.63 0.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -141.9 173.14 11.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.946 0.403 . . . . 0.0 110.586 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.54 148.96 38.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.527 -0.76 . . . . 0.0 108.991 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -159.08 165.2 34.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.733 0.301 . . . . 0.0 110.708 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.4 t -96.43 117.73 31.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -105.52 110.27 22.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 64.76 -85.87 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.674 0.609 . . . . 0.0 110.581 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.6 t -150.67 32.27 0.63 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -140.69 138.39 34.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.347 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.36 124.56 25.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -110.79 122.64 48.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.8 m -100.32 135.73 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.7 t -113.42 126.85 70.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.89 149.71 27.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.028 0.442 . . . . 0.0 111.224 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -100.67 166.85 2.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.046 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' ARG . 23.4 mmt85 -135.98 34.64 2.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.328 0.585 . . . . 0.0 109.855 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.709 179.77 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.1 p -88.16 132.69 34.23 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.511 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 17.0 t-20 -106.34 135.69 47.38 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.372 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -62.28 -48.79 78.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.997 0.427 . . . . 0.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.59 -41.26 98.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.511 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 72.7 p -65.42 -41.85 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.36 -45.18 92.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.654 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.558 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 57.2 t-105 -57.31 -45.75 83.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.14 92.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 m -61.28 -50.84 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.832 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.7 m -61.1 -40.36 93.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.084 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -68.68 -32.12 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.051 0.453 . . . . 0.0 110.626 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -42.32 63.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 0.0 110.545 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -73.07 -45.61 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.636 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -97.7 127.89 43.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.977 0.417 . . . . 0.0 111.843 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -83.16 -123.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.605 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.502 HG13 ' CD1' ' A' ' 18' ' ' TYR . 32.5 pt -68.6 -3.81 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.1 m-85 -98.25 -0.68 43.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.836 0.35 . . . . 0.0 110.409 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.6 126.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.801 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -99.51 -80.55 0.47 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 30.7 ptt180 -143.04 178.51 7.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.828 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.25 151.59 42.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.046 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -167.86 160.11 12.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.779 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -97.36 123.48 41.2 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -99.7 114.81 28.15 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 67.03 -86.94 0.03 OUTLIER 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.823 0.702 . . . . 0.0 109.519 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 p -150.37 29.49 0.7 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.643 0.735 . . . . 0.0 109.436 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -134.21 139.01 45.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.954 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -117.76 123.84 46.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.4 m -102.05 134.32 45.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.865 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 12.9 t -106.09 129.93 58.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -160.04 156.63 27.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 m -97.52 160.56 2.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.178 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -110.91 -36.29 5.72 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.016 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 CA-C-O 118.328 -1.262 . . . . 0.0 111.298 179.562 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.728 0.299 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 38.3 t80 -61.56 -53.03 61.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.629 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -61.55 -45.68 93.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.432 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -63.33 -42.6 98.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.374 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.9 t -64.1 -44.47 92.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.044 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.707 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.3 t-105 -56.93 -49.48 75.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.393 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.43 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.4 m -62.09 -48.85 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.069 0.462 . . . . 0.0 111.254 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.9 m -65.28 -43.41 91.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.821 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -66.95 -39.09 87.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.616 0.246 . . . . 0.0 111.472 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.14 87.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.758 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.64 -53.59 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -72.63 139.31 47.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.712 0.292 . . . . 0.0 111.276 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -84.81 -133.46 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 0.0 112.153 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 pt -74.59 1.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.539 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -96.67 -4.28 41.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.459 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.73 126.4 29.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.515 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -97.96 -76.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 39.8 ptt180 -144.07 174.42 10.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.203 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.707 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.47 145.65 35.5 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 4.5 p90 -165.53 -179.59 5.54 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.68 113.72 25.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 28.6 t70 -97.38 115.0 26.9 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 65.1 -86.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.999 0.812 . . . . 0.0 109.28 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 p -151.01 30.07 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.675 0.75 . . . . 0.0 109.159 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -137.07 147.53 46.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.585 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.94 122.56 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -117.49 125.98 51.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.008 0.432 . . . . 0.0 110.915 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.6 m -99.92 133.16 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.438 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 12.9 t -108.79 130.23 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -160.96 150.92 17.43 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.316 -0.867 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.105 179.418 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.474 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 14.9 t-20 . . . . . 0 C--O 1.226 -0.144 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.42 -57.25 13.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -60.51 -39.99 89.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 43.3 t -65.89 -44.81 84.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -59.92 -42.77 94.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.174 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.794 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.53 -48.97 76.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.87 97.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.191 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -59.45 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.6 m -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -65.1 -40.33 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.334 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.63 57.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.516 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -51.84 37.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 76.3 m-70 -82.59 136.47 34.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 111.653 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -79.06 -136.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.866 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.1 pt -72.48 2.15 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -95.88 -3.74 44.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 47.0 t80 -66.91 126.42 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.582 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.0 -75.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.54 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 35.0 ptt180 -143.37 174.36 10.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.909 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.794 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.28 144.69 33.4 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -157.94 158.89 35.84 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.134 0.492 . . . . 0.0 110.769 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -97.69 117.74 32.66 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.797 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.93 119.62 39.97 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 62.92 -87.87 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.805 0.691 . . . . 0.0 110.085 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -150.42 32.68 0.64 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -139.1 134.12 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.553 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.17 121.72 22.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -110.28 125.91 53.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -100.83 134.81 43.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.627 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.54 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 15.4 t -107.77 129.98 60.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.77 157.42 18.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.951 0.405 . . . . 0.0 111.13 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 C--N 1.318 -0.79 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.307 178.457 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.0 t-20 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -61.96 -50.35 72.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.112 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -60.78 -46.7 89.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 110.23 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 39.9 t -61.87 -43.22 99.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.081 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 t -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.904 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.631 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.4 t-105 -58.54 -47.64 83.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.139 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.285 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.2 m -63.8 -51.3 65.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -61.42 -39.12 89.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.317 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.61 -40.23 84.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -39.46 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.079 0.466 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -72.05 -54.8 8.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.666 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 92.8 m-70 -87.05 138.57 31.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -82.26 -130.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.147 0.499 . . . . 0.0 112.133 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.2 pt -71.25 -0.29 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.766 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.431 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 6.9 m-85 -96.35 -7.34 35.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 45.5 t80 -64.24 125.84 25.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.158 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.501 HH21 HG11 ' A' ' 34' ' ' VAL . 23.2 tpp180 -100.34 -75.56 0.57 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -142.79 175.73 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.967 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.95 146.6 35.83 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.465 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 9.8 p90 -162.62 164.28 26.73 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 123.221 0.326 . . . . 0.0 110.304 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -97.93 120.4 38.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.223 0.535 . . . . 0.0 109.855 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.465 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 52.9 t0 -109.1 131.42 55.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 64.03 -95.18 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 p -150.54 31.3 0.65 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.469 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 t -69.3 129.77 40.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -117.92 127.31 53.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.943 0.401 . . . . 0.0 110.138 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.1 m -102.31 135.34 44.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.353 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.42 133.63 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -158.67 157.72 32.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.273 0.559 . . . . 0.0 111.617 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.501 HG11 HH21 ' A' ' 20' ' ' ARG . 6.8 m . . . . . 0 C--N 1.315 -0.893 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.393 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.515 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 29.5 t-20 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.65 -49.12 75.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.917 0.389 . . . . 0.0 111.104 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -66.83 -43.93 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.823 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.515 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 85.7 p -64.94 -43.66 92.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.174 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.35 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.033 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 61.6 t-105 -56.82 -47.29 80.64 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.142 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.35 96.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.867 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -62.04 -50.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.77 -39.55 94.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.083 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -65.45 -37.49 87.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.96 -44.31 27.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.071 0.462 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.5 -49.74 72.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.91 140.03 30.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.434 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -78.04 -137.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.369 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 18' ' ' TYR . 39.7 pt -68.97 -3.52 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.551 ' CD1' HG13 ' A' ' 17' ' ' ILE . 3.2 m-85 -98.0 9.46 42.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.823 0.344 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -68.8 125.42 26.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.766 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -99.65 -76.04 0.55 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -142.43 169.79 16.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.939 0.399 . . . . 0.0 110.446 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.18 147.86 37.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.406 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -161.9 160.74 28.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.805 0.336 . . . . 0.0 110.41 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -97.81 114.51 26.56 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -99.31 118.21 35.46 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 64.4 -86.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.791 0.682 . . . . 0.0 110.246 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -151.59 32.85 0.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -140.49 138.43 34.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.647 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.1 t -70.5 127.74 33.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 1.5 tpmt? -118.94 121.6 40.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.0 110.362 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.24 135.05 43.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.11 0.481 . . . . 0.0 111.466 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.77 128.21 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -160.1 153.7 22.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.218 0.532 . . . . 0.0 111.462 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.889 178.485 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 21.3 t-20 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.039 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -63.65 -43.28 97.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.613 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 51.9 m -62.84 -40.79 98.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.125 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.65 -43.17 94.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.746 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 54.1 t-105 -57.48 -48.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.231 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.124 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.0 m -62.52 -50.07 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.364 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 92.3 m -64.03 -41.52 97.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.392 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.48 -35.29 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.972 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.33 78.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -77.32 -48.24 17.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.558 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.643 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 55.7 m-70 -99.69 50.65 0.92 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -56.24 -59.87 4.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.01 -32.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.713 ' HD2' HG23 ' A' ' 34' ' ' VAL . 35.0 m-85 -122.85 33.91 5.28 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.619 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.643 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 41.7 t80 -68.88 131.5 45.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.576 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.533 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.3 tpm_? -107.03 -81.34 0.56 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 38.9 ptt180 -143.55 168.12 20.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.049 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.76 148.35 38.83 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -165.7 172.74 11.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.737 0.303 . . . . 0.0 110.768 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.4 t -97.41 123.02 41.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -108.55 114.03 27.53 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 65.76 -84.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.752 0.658 . . . . 0.0 110.008 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 28.38 0.73 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -139.49 145.85 39.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 t -70.41 124.49 24.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.345 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -111.69 124.45 52.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.928 0.394 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.58 132.7 44.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.741 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 21' ' ' ARG . 24.6 t -115.64 131.23 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -155.55 150.57 26.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.781 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.713 HG23 ' HD2' ' A' ' 18' ' ' TYR . 7.5 m . . . . . 0 C--N 1.318 -0.776 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.998 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.415 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 47.9 t30 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 32.7 t80 -56.12 -48.54 76.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.93 -44.94 94.69 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.415 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 74.6 p -66.27 -43.42 86.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.383 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.91 -44.55 97.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.431 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.26 -48.91 75.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.5 97.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.152 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -61.14 -50.38 73.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.5 m -64.51 -39.24 93.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.67 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.262 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.73 -52.42 17.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.24 -50.94 62.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.196 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -81.04 130.72 35.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.718 0.294 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -78.23 -132.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.203 0.525 . . . . 0.0 111.412 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.443 HG13 ' CD1' ' A' ' 18' ' ' TYR . 28.4 pt -70.71 -2.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.395 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.637 ' CD2' HG23 ' A' ' 34' ' ' VAL . 5.5 m-85 -97.43 4.15 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.252 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.47 124.22 23.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.271 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.16 -74.11 0.6 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -143.84 171.73 13.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.871 0.367 . . . . 0.0 110.477 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.62 154.27 45.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.17 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.442 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 25.8 p90 -167.26 162.96 15.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -97.57 115.37 27.73 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 59.3 t0 -98.05 109.53 22.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.801 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 65.25 -84.59 0.03 OUTLIER 'General case' 0 C--O 1.23 0.066 0 O-C-N 123.956 0.785 . . . . 0.0 110.074 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -150.36 32.05 0.66 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -138.74 134.58 33.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.275 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.57 118.84 13.88 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -108.59 122.41 47.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.2 133.75 44.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.326 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -108.13 131.35 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -163.75 156.55 18.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.312 0.577 . . . . 0.0 111.496 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.637 HG23 ' CD2' ' A' ' 18' ' ' TYR . 5.4 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.734 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.593 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.9 t-20 . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.21 -52.91 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.777 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.76 -41.2 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 32.2 t -62.7 -43.0 99.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.757 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.44 -48.17 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.159 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.717 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.4 -49.3 74.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.02 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.398 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.2 m -60.96 -50.18 74.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.5 m -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.419 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -65.86 -38.95 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.75 66.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -51.71 34.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.033 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -88.8 123.51 33.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.546 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -82.0 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 0.0 111.718 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 pt -68.2 -1.13 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.773 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.4 -15.96 20.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 65.0 t80 -64.01 130.51 44.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.695 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -107.72 -71.69 0.75 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -143.35 170.03 16.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.777 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.717 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 145.48 34.6 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -163.69 162.85 24.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.15 125.33 43.12 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.014 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -107.41 125.41 51.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 65.09 -93.11 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 m -150.64 34.47 0.62 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -140.29 137.74 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.908 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.05 131.63 46.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.096 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -118.33 123.23 44.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.892 0.377 . . . . 0.0 110.127 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 78.9 m -101.45 134.08 45.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.29 132.07 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -159.94 162.91 34.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.102 0.477 . . . . 0.0 111.169 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.315 -0.911 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.511 179.061 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.587 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.4 t-20 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.584 0.231 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -64.53 -52.66 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.44 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -59.8 -42.26 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.587 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 28.8 t -65.29 -42.7 92.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.64 -48.07 78.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.935 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.8 t-105 -57.62 -47.01 83.4 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.766 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.92 -46.24 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.277 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.2 m -62.47 -48.37 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.63 -40.44 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.49 -42.39 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.65 87.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.209 0.528 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.071 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 86.6 m-70 -92.56 126.02 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 111.661 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.3 -120.53 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.432 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.558 HG13 ' CD1' ' A' ' 18' ' ' TYR . 27.5 pt -66.57 -8.98 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.558 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.7 m-85 -97.4 -1.05 45.21 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.549 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.5 t80 -71.42 122.38 20.27 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.048 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -99.83 -71.97 0.68 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 35.5 ptt180 -143.31 171.71 13.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.13 148.05 37.67 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 21.9 p90 -166.69 167.47 15.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.98 116.87 31.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 9.4 t70 -99.59 115.35 29.18 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 64.78 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.822 0.701 . . . . 0.0 110.163 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -150.59 29.84 0.68 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.338 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -137.28 140.75 41.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.632 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 t -72.02 126.26 29.31 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -115.43 123.44 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.981 0.42 . . . . 0.0 110.554 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.45 133.57 43.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.355 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 21.6 t -108.65 123.19 64.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -154.58 150.96 28.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.5 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.431 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 11.4 m . . . . . 0 C--N 1.315 -0.925 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.022 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.588 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.1 t-20 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.01 -56.88 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -60.22 -40.82 91.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.905 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.588 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 48.4 t -60.34 -45.57 92.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.15 -46.48 87.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.063 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.702 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 65.5 t-105 -54.77 -50.25 68.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.241 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.52 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.16 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.7 m -59.71 -48.89 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.342 0.592 . . . . 0.0 110.526 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.25 -37.75 75.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -65.87 -40.65 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.599 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.25 58.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.61 -54.59 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 64.9 m-70 -76.27 136.14 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.305 0.574 . . . . 0.0 111.437 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -83.29 -134.98 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.35 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.3 pt -69.31 2.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 120.909 0.385 . . . . 0.0 112.006 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -97.39 -3.89 39.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.059 0.457 . . . . 0.0 109.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 49.0 t80 -67.89 124.73 24.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.082 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 -99.74 -76.44 0.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 38.6 ptt180 -143.33 172.35 12.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.318 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.702 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.46 148.11 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.975 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -164.1 165.05 22.64 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.1 t -97.24 123.9 41.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.213 0.53 . . . . 0.0 109.893 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.93 120.0 41.09 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.852 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 67.24 -87.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.797 0.685 . . . . 0.0 110.106 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.7 t -150.55 27.34 0.74 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -139.98 151.2 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.402 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.76 128.44 35.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.848 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -113.67 119.37 37.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -100.39 133.68 44.46 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.177 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.448 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.7 t -107.06 124.17 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -160.77 152.19 19.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.322 0.582 . . . . 0.0 110.816 179.144 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.616 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 20.9 t-20 . . . . . 0 N--CA 1.46 0.037 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.71 -55.03 30.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -60.46 -46.35 90.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.773 0.32 . . . . 0.0 110.214 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.616 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 52.4 m -59.49 -42.69 92.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -67.33 -47.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.376 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.687 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 55.2 t-105 -57.23 -48.44 78.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.302 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.61 95.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.281 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -63.13 -52.45 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.92 -39.31 94.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.487 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.82 -41.28 87.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.671 0.272 . . . . 0.0 111.628 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.78 61.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.872 0.367 . . . . 0.0 111.55 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -69.07 -47.89 64.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.974 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -79.75 143.52 34.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -81.71 -139.86 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.871 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.508 HG13 ' CD1' ' A' ' 18' ' ' TYR . 35.6 pt -71.21 -1.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD1' HG13 ' A' ' 17' ' ' ILE . 5.5 m-85 -98.75 15.3 25.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 110.771 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -76.13 127.81 33.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.647 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -99.03 -78.99 0.49 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.505 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 40.2 ptt180 -142.93 173.89 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 110.566 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.91 142.13 33.03 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -160.15 172.51 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.6 118.29 33.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.535 0.683 . . . . 0.0 110.337 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.1 t70 -106.44 117.06 33.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.329 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 65.21 -86.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.758 0.661 . . . . 0.0 110.012 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -150.86 29.66 0.66 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.555 0.693 . . . . 0.0 109.343 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 17.9 pt20 -137.48 150.14 47.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.908 -178.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.44 120.54 21.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -108.11 123.89 49.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.926 0.393 . . . . 0.0 110.157 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.3 132.55 44.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.688 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.505 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.4 t -109.78 127.6 66.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -159.37 151.6 21.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.142 0.496 . . . . 0.0 111.186 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 18' ' ' TYR . 5.3 m . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.146 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.3 t-20 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.613 0.244 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.15 -52.26 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.403 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -58.93 -45.19 91.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 110.285 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.649 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 49.5 m -63.17 -44.76 94.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.821 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -61.87 -45.63 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.331 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.575 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.8 t-105 -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.047 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.934 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -60.02 -48.05 83.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 111.132 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.3 m -68.44 -42.01 79.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.023 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.79 -33.02 71.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.656 0.265 . . . . 0.0 111.696 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.883 0.373 . . . . 0.0 110.68 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 -55.07 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.345 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -83.76 120.46 26.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.317 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.8 m -89.24 -107.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.487 HG13 ' CD1' ' A' ' 18' ' ' TYR . 24.4 pt -73.09 -9.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.5 m-85 -97.75 3.67 50.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.116 0.484 . . . . 0.0 109.954 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -77.1 127.43 32.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.765 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -98.91 -79.55 0.48 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 30.8 ptt180 -143.29 178.23 7.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.783 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.97 148.08 38.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 11.8 p90 -165.49 166.73 18.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.23 118.34 33.46 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.341 0.591 . . . . 0.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 66.1 t0 -99.97 116.49 32.15 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 65.2 -86.86 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.825 0.703 . . . . 0.0 110.062 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 p -151.25 30.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.76 0.791 . . . . 0.0 108.999 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.51 141.61 41.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.102 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.52 125.15 25.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -113.41 124.22 51.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 0.0 110.455 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.14 131.93 46.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.521 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 14.6 t -105.12 129.61 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -158.87 155.15 27.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 110.946 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.315 -0.9 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.804 179.243 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.5 t30 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -52.03 -54.97 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.98 -41.81 99.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.214 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -63.8 -45.23 90.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.105 0.479 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.49 -43.63 93.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.776 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 58.8 t-105 -57.39 -48.11 79.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.93 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -64.93 -52.94 53.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.803 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 72.2 m -64.34 -40.12 95.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.896 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.88 -37.9 89.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.922 0.392 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.65 -46.04 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.171 0.51 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.1 -51.88 58.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.845 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -93.68 130.41 39.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.796 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -77.48 -130.02 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.24 2.52 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -97.4 -10.13 26.06 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.9 t80 -64.68 126.32 27.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.204 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 22.0 tpp180 -99.0 -74.41 0.59 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 39.2 ptt180 -143.27 169.77 17.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.776 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.22 35.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -160.16 165.66 31.22 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.699 0.285 . . . . 0.0 110.603 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.27 113.63 25.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.219 0.533 . . . . 0.0 110.088 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -99.23 112.84 24.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 63.43 -87.62 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 O-C-N 123.78 0.675 . . . . 0.0 110.07 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.8 t -150.94 33.21 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -139.36 131.17 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.142 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.52 124.4 22.69 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.042 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -111.64 122.98 49.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.882 0.372 . . . . 0.0 110.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.2 m -103.33 133.24 48.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.572 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.484 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 16.5 t -110.56 131.22 62.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -164.26 155.39 15.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.09 0.471 . . . . 0.0 111.328 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.61 178.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.597 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 2.0 t-20 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.46 -51.84 65.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.608 0.242 . . . . 0.0 111.057 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -58.86 -41.84 87.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.597 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 19.5 p -66.72 -45.17 79.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.246 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.49 -46.14 89.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.478 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.9 t-105 -57.71 -47.48 82.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.212 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.24 97.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.193 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 47.5 m -62.75 -50.6 70.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.74 -40.69 95.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.567 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -37.33 85.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.09 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.12 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 10' ' ' THR . 89.9 mt-30 -66.11 -40.32 90.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.965 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 93.3 m-70 -107.05 129.07 54.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.91 0.386 . . . . 0.0 111.705 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -79.93 -121.81 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.692 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -70.35 -1.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.721 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -97.76 -7.61 30.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.393 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.0 t80 -67.78 124.86 24.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -99.73 -77.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.486 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 17.3 ptt180 -143.99 -178.02 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.017 178.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.32 153.18 43.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.34 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.418 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -166.71 163.66 16.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.141 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.18 120.47 38.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 62.2 t0 -99.15 111.48 23.86 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 66.6 -85.48 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.146 0 O-C-N 123.845 0.716 . . . . 0.0 109.861 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 t -150.66 33.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -139.69 134.0 31.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.944 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.1 t -65.52 124.68 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -116.48 124.13 49.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.01 0.433 . . . . 0.0 110.038 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.3 m -99.44 134.95 41.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.343 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.486 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 15.5 t -102.4 129.53 53.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.92 153.91 28.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.377 0.608 . . . . 0.0 111.797 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.15 178.67 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.409 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 56.4 t30 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.9 -56.02 25.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.91 -41.17 91.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 111.096 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 24.1 m -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 t -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.037 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.684 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.6 t-105 -56.78 -48.24 78.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.098 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.87 99.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.433 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -63.12 -50.46 70.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -63.72 -42.04 97.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.67 70.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.899 0.38 . . . . 0.0 111.315 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.46 -52.28 10.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.003 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -78.61 137.61 37.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -80.17 -129.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.84 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.4 pt -77.56 2.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -98.1 0.89 46.94 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -68.34 125.18 25.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.798 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.7 tpm_? -99.55 -75.22 0.57 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.988 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 20.6 ptt180 -143.46 170.18 16.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.684 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.48 145.02 34.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -163.32 171.91 15.43 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.2 117.83 33.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.228 0.537 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -99.38 107.89 20.25 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 67.51 -84.74 0.03 OUTLIER 'General case' 0 C--O 1.231 0.094 0 O-C-N 123.919 0.762 . . . . 0.0 109.746 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -150.39 31.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.717 0.77 . . . . 0.0 109.228 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.82 139.26 44.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.116 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 t -71.15 119.7 15.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -109.45 125.71 52.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.913 0.387 . . . . 0.0 110.658 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.4 m -102.43 133.52 47.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.184 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 19.3 t -111.53 133.37 57.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -155.42 151.37 27.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.935 0.398 . . . . 0.0 111.089 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.885 179.699 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.7 t30 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -58.89 -54.85 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.954 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -58.65 -39.5 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 t -62.84 -46.82 86.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.106 0.479 . . . . 0.0 109.974 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.29 -45.7 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.613 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.685 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 57.0 t-105 -57.43 -49.93 74.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -43.47 96.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.367 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -60.49 -46.7 89.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.028 0.442 . . . . 0.0 111.429 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.53 -37.8 74.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.2 -41.54 94.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.779 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.44 76.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.734 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -70.33 -52.22 24.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.0 m-70 -83.02 135.46 34.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.955 0.407 . . . . 0.0 111.896 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -83.45 -132.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.0 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 18' ' ' TYR . 38.7 pt -68.79 -1.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.174 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 5.8 m-85 -97.64 -3.09 40.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.031 0.443 . . . . 0.0 109.822 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 46.6 t80 -68.94 124.16 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.484 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -100.48 -74.61 0.6 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.854 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 36.3 ptt180 -143.11 176.25 9.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.685 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.88 141.81 33.06 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.416 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 13.4 p90 -156.22 162.8 40.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.828 0.346 . . . . 0.0 110.257 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.77 120.53 38.32 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.543 0.687 . . . . 0.0 109.528 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 6.3 t70 -99.15 115.01 28.08 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 66.4 -85.92 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.964 0.79 . . . . 0.0 109.626 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 p -150.93 32.69 0.6 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -140.13 138.48 35.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.426 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.31 126.83 30.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' ' 30' ' ' LYS . 15.0 tppt? -116.97 126.77 53.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.4 m -99.58 135.3 41.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.6 t -109.52 125.96 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -151.4 149.64 29.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.223 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.425 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 9.5 m . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.439 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -55.66 -55.55 30.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -61.83 -44.47 96.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.762 0.315 . . . . 0.0 111.416 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -62.89 -43.86 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -64.0 -45.17 90.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.542 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.728 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.2 t-105 -57.03 -46.49 82.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.31 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.39 94.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.887 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 m -61.6 -52.45 64.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.539 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.6 m -63.09 -41.39 99.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.822 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -67.27 -42.75 83.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.33 . . . . 0.0 111.597 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.42 75.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -50.76 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -82.32 138.77 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.3 p -76.16 -135.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.142 0.496 . . . . 0.0 112.11 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 pt -73.73 2.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.737 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -96.79 -1.52 46.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.921 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.25 127.6 32.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.315 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -99.2 -78.41 0.5 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 32.8 ptt180 -143.02 174.02 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.153 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.728 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.69 149.5 38.91 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -164.32 167.9 19.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.858 0.361 . . . . 0.0 110.765 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.48 111.85 23.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.124 0.487 . . . . 0.0 110.255 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -100.31 110.03 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 64.03 -86.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.783 0.677 . . . . 0.0 110.733 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -149.75 34.03 0.69 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -140.53 139.22 35.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.287 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -73.86 118.65 17.06 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -103.2 122.14 44.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.891 0.377 . . . . 0.0 110.214 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.0 m -101.65 130.08 47.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.472 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.9 t -109.3 132.36 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -159.53 156.19 27.72 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.66 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.686 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.5 t-20 . . . . . 0 C--O 1.227 -0.109 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.504 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 12.4 t80 -59.66 -56.89 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.5 -43.87 97.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.541 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.686 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 47.5 m -62.42 -39.49 93.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.383 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 -43.03 91.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.79 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.901 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.1 t-105 -55.01 -49.72 70.81 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.86 99.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.313 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -61.22 -51.34 69.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.368 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -63.89 -40.92 97.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -66.45 -35.17 79.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.194 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.9 64.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.776 0.322 . . . . 0.0 111.479 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -70.61 -52.2 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.049 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -77.87 139.75 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.984 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -77.22 -136.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.366 0.603 . . . . 0.0 111.985 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG13 ' CD1' ' A' ' 18' ' ' TYR . 41.7 pt -76.53 5.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.234 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.404 ' CD1' HG13 ' A' ' 17' ' ' ILE . 2.9 m-85 -97.39 -4.42 38.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.174 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.92 127.56 31.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.328 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -98.01 -77.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 34.5 ptt180 -142.94 170.68 15.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.802 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.901 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.1 35.32 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.504 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 22.2 p90 -162.17 163.21 28.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.64 115.28 28.32 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -104.24 125.09 50.22 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 61.09 -90.66 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.779 0.674 . . . . 0.0 109.822 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 p -150.22 34.44 0.65 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -139.27 137.92 36.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.282 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.7 t -74.66 122.42 23.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -111.96 128.37 56.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.552 . . . . 0.0 111.051 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.0 m -105.31 132.26 51.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.333 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.468 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 21.2 t -112.17 133.64 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -164.1 156.32 16.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 110.978 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.154 178.847 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.707 0.289 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 36.4 t80 -60.85 -50.78 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.642 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.7 -40.27 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.352 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -64.65 -48.03 76.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.11 -48.53 81.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.6 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.13 97.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.318 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.545 HG22 HE21 ' A' ' 14' ' ' GLN . 34.9 m -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.945 0.402 . . . . 0.0 110.951 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.0 m -64.78 -40.42 95.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.74 -38.81 90.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.545 HE21 HG22 ' A' ' 10' ' ' THR . 65.7 mt-30 -76.67 -54.6 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.1 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 65.8 m-70 -88.22 127.59 35.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.46 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -89.93 -117.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.278 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.8 pt -68.28 -9.36 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.484 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.1 m-85 -95.82 -3.44 45.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.5 t80 -72.62 125.24 27.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.658 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -99.3 -75.18 0.57 Allowed 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.511 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 26.7 ptt180 -142.86 178.48 7.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.916 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.77 149.0 39.86 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -163.68 160.96 23.31 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 123.426 0.454 . . . . 0.0 109.791 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.45 120.5 38.97 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.719 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.411 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 36.3 t70 -98.57 121.58 40.69 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 64.14 -89.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.662 0.601 . . . . 0.0 109.435 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.8 m -149.11 30.12 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -137.35 138.31 39.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.68 132.5 48.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.41 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -125.02 128.65 48.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -103.13 136.5 42.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.019 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 20.9 t -104.29 123.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -156.76 149.99 24.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 111.116 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.692 179.355 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.754 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 18.7 t-20 . . . . . 0 C--O 1.226 -0.134 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -59.88 -58.21 9.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -61.09 -44.74 96.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 0.0 110.339 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.754 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 73.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.21 -45.45 80.66 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.822 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 62.9 t-105 -54.98 -49.86 70.4 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.195 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.67 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.901 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 m -60.09 -51.87 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.339 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.2 m -63.72 -40.65 97.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HB3' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -65.54 -38.43 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.831 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -46.71 59.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.898 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -84.59 141.17 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 0.0 112.063 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -79.53 -134.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.077 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.512 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.7 pt -74.68 -4.59 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.512 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.8 m-85 -98.87 16.04 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 0.0 110.658 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -75.35 127.07 32.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.559 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -99.59 -80.63 0.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -141.9 173.14 11.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.946 0.403 . . . . 0.0 110.586 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.54 148.96 38.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.527 -0.76 . . . . 0.0 108.991 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -159.08 165.2 34.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.733 0.301 . . . . 0.0 110.708 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.4 t -96.43 117.73 31.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -105.52 110.27 22.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 64.76 -85.87 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.674 0.609 . . . . 0.0 110.581 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.6 t -150.67 32.27 0.63 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -140.69 138.39 34.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.347 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.36 124.56 25.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -110.79 122.64 48.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.8 m -100.32 135.73 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.7 t -113.42 126.85 70.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.89 149.71 27.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.028 0.442 . . . . 0.0 111.224 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.046 179.371 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.511 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 17.0 t-20 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.679 0.276 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -62.28 -48.79 78.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.997 0.427 . . . . 0.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.59 -41.26 98.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.511 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 72.7 p -65.42 -41.85 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.36 -45.18 92.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.654 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.558 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 57.2 t-105 -57.31 -45.75 83.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.14 92.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 m -61.28 -50.84 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.832 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.7 m -61.1 -40.36 93.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.084 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -68.68 -32.12 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.051 0.453 . . . . 0.0 110.626 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -42.32 63.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 0.0 110.545 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -73.07 -45.61 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.636 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -97.7 127.89 43.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.977 0.417 . . . . 0.0 111.843 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -83.16 -123.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.605 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.502 HG13 ' CD1' ' A' ' 18' ' ' TYR . 32.5 pt -68.6 -3.81 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.1 m-85 -98.25 -0.68 43.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.836 0.35 . . . . 0.0 110.409 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.6 126.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.801 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -99.51 -80.55 0.47 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 30.7 ptt180 -143.04 178.51 7.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.828 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.25 151.59 42.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.046 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -167.86 160.11 12.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.779 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -97.36 123.48 41.2 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -99.7 114.81 28.15 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 67.03 -86.94 0.03 OUTLIER 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.823 0.702 . . . . 0.0 109.519 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 p -150.37 29.49 0.7 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.643 0.735 . . . . 0.0 109.436 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -134.21 139.01 45.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.954 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -117.76 123.84 46.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.4 m -102.05 134.32 45.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.865 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 12.9 t -106.09 129.93 58.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -160.04 156.63 27.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.317 -0.829 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.178 179.134 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 p -142.5 138.71 31.14 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -125.1 128.8 49.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.728 0.299 . . . . 0.0 110.535 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 38.3 t80 -61.56 -53.03 61.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.629 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -61.55 -45.68 93.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.432 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -63.33 -42.6 98.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.374 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.9 t -64.1 -44.47 92.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.044 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.707 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.3 t-105 -56.93 -49.48 75.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.393 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.43 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.4 m -62.09 -48.85 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.069 0.462 . . . . 0.0 111.254 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.9 m -65.28 -43.41 91.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.821 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -66.95 -39.09 87.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.616 0.246 . . . . 0.0 111.472 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.14 87.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.758 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.64 -53.59 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -72.63 139.31 47.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.712 0.292 . . . . 0.0 111.276 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -84.81 -133.46 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 0.0 112.153 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 pt -74.59 1.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.539 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -96.67 -4.28 41.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.459 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.73 126.4 29.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.515 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -97.96 -76.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 39.8 ptt180 -144.07 174.42 10.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.203 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.707 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.47 145.65 35.5 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 4.5 p90 -165.53 -179.59 5.54 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.68 113.72 25.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 28.6 t70 -97.38 115.0 26.9 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 65.1 -86.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.999 0.812 . . . . 0.0 109.28 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 p -151.01 30.07 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.675 0.75 . . . . 0.0 109.159 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -137.07 147.53 46.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.585 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.94 122.56 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -117.49 125.98 51.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.008 0.432 . . . . 0.0 110.915 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.6 m -99.92 133.16 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.438 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 12.9 t -108.79 130.23 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -160.96 150.92 17.43 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 m -99.36 156.97 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.105 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -91.77 -40.88 10.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.165 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.328 -1.262 . . . . 0.0 111.368 179.884 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.823 0.344 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.5 t -152.87 127.26 9.26 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.474 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 14.9 t-20 -141.78 138.37 32.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.42 -57.25 13.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -60.51 -39.99 89.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 43.3 t -65.89 -44.81 84.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -59.92 -42.77 94.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.174 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.794 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.53 -48.97 76.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.87 97.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.191 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -59.45 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.6 m -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -65.1 -40.33 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.334 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.63 57.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.516 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -51.84 37.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 76.3 m-70 -82.59 136.47 34.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 111.653 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -79.06 -136.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.866 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.1 pt -72.48 2.15 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -95.88 -3.74 44.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 47.0 t80 -66.91 126.42 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.582 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.0 -75.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.54 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 35.0 ptt180 -143.37 174.36 10.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.909 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.794 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.28 144.69 33.4 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -157.94 158.89 35.84 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.134 0.492 . . . . 0.0 110.769 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -97.69 117.74 32.66 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.797 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.93 119.62 39.97 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 62.92 -87.87 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.805 0.691 . . . . 0.0 110.085 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -150.42 32.68 0.64 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -139.1 134.12 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.553 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.17 121.72 22.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -110.28 125.91 53.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -100.83 134.81 43.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.627 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.54 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 15.4 t -107.77 129.98 60.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.77 157.42 18.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.951 0.405 . . . . 0.0 111.13 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.51 157.45 3.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.307 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 4.0 mmp_? -139.47 47.46 1.87 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.913 -178.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.427 -1.207 . . . . 0.0 111.609 179.475 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.81 0.338 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.1 p -151.18 142.75 23.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.0 t-20 -119.94 127.98 53.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.883 0.373 . . . . 0.0 110.753 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -61.96 -50.35 72.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.112 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -60.78 -46.7 89.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 110.23 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 39.9 t -61.87 -43.22 99.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.081 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 t -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.904 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.631 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.4 t-105 -58.54 -47.64 83.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.139 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.285 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.2 m -63.8 -51.3 65.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -61.42 -39.12 89.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.317 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.61 -40.23 84.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -39.46 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.079 0.466 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -72.05 -54.8 8.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.666 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 92.8 m-70 -87.05 138.57 31.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -82.26 -130.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.147 0.499 . . . . 0.0 112.133 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.2 pt -71.25 -0.29 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.766 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.431 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 6.9 m-85 -96.35 -7.34 35.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 45.5 t80 -64.24 125.84 25.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.158 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.501 HH21 HG11 ' A' ' 34' ' ' VAL . 23.2 tpp180 -100.34 -75.56 0.57 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -142.79 175.73 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.967 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.95 146.6 35.83 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 9.8 p90 -162.62 164.28 26.73 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 123.221 0.326 . . . . 0.0 110.304 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -97.93 120.4 38.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.223 0.535 . . . . 0.0 109.855 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.465 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 52.9 t0 -109.1 131.42 55.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 64.03 -95.18 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 p -150.54 31.3 0.65 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.469 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 t -69.3 129.77 40.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -117.92 127.31 53.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.943 0.401 . . . . 0.0 110.138 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.1 m -102.31 135.34 44.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.353 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.42 133.63 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -158.67 157.72 32.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.273 0.559 . . . . 0.0 111.617 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.501 HG11 HH21 ' A' ' 20' ' ' ARG . 6.8 m -98.99 167.3 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.393 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -150.78 50.71 0.86 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.286 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.677 -1.068 . . . . 0.0 111.991 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 33.2 t -150.25 126.48 10.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.998 0.428 . . . . 0.0 110.362 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.515 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 29.5 t-20 -141.25 143.17 33.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.24 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.65 -49.12 75.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.917 0.389 . . . . 0.0 111.104 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -66.83 -43.93 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.823 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.515 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 85.7 p -64.94 -43.66 92.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.174 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.35 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.033 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 61.6 t-105 -56.82 -47.29 80.64 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.142 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.35 96.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.867 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -62.04 -50.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.213 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.77 -39.55 94.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.083 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -65.45 -37.49 87.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.96 -44.31 27.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.071 0.462 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.5 -49.74 72.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -89.91 140.03 30.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.434 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -78.04 -137.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.369 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 18' ' ' TYR . 39.7 pt -68.97 -3.52 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.551 ' CD1' HG13 ' A' ' 17' ' ' ILE . 3.2 m-85 -98.0 9.46 42.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.823 0.344 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -68.8 125.42 26.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.766 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -99.65 -76.04 0.55 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -142.43 169.79 16.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.939 0.399 . . . . 0.0 110.446 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.18 147.86 37.28 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.406 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -161.9 160.74 28.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.805 0.336 . . . . 0.0 110.41 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -97.81 114.51 26.56 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -99.31 118.21 35.46 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 64.4 -86.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.791 0.682 . . . . 0.0 110.246 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -151.59 32.85 0.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -140.49 138.43 34.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.647 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.1 t -70.5 127.74 33.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 1.5 tpmt? -118.94 121.6 40.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.0 110.362 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.24 135.05 43.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.11 0.481 . . . . 0.0 111.466 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.77 128.21 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -160.1 153.7 22.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.218 0.532 . . . . 0.0 111.462 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -99.39 167.67 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.889 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -150.07 44.45 0.89 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.119 0.485 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.876 0 CA-C-O 119.166 -0.797 . . . . 0.0 111.177 179.532 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.879 0.371 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.4 p -152.49 142.73 22.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.986 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 21.3 t-20 -123.77 126.56 46.7 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.039 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -63.65 -43.28 97.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.613 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 51.9 m -62.84 -40.79 98.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.125 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.65 -43.17 94.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.746 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 54.1 t-105 -57.48 -48.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.231 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.124 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.0 m -62.52 -50.07 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.364 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 92.3 m -64.03 -41.52 97.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.392 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.48 -35.29 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.972 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.33 78.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -77.32 -48.24 17.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.558 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.643 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 55.7 m-70 -99.69 50.65 0.92 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -56.24 -59.87 4.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.01 -32.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.713 ' HD2' HG23 ' A' ' 34' ' ' VAL . 35.0 m-85 -122.85 33.91 5.28 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.619 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.643 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 41.7 t80 -68.88 131.5 45.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.576 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.533 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.3 tpm_? -107.03 -81.34 0.56 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 38.9 ptt180 -143.55 168.12 20.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.049 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.76 148.35 38.83 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -165.7 172.74 11.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.737 0.303 . . . . 0.0 110.768 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.4 t -97.41 123.02 41.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -108.55 114.03 27.53 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 65.76 -84.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.752 0.658 . . . . 0.0 110.008 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 28.38 0.73 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -139.49 145.85 39.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 t -70.41 124.49 24.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.345 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -111.69 124.45 52.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.928 0.394 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.58 132.7 44.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.741 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 21' ' ' ARG . 24.6 t -115.64 131.23 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -155.55 150.57 26.62 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.781 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.713 HG23 ' HD2' ' A' ' 18' ' ' TYR . 7.5 m -98.39 171.17 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -116.55 -37.83 3.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.926 -0.93 . . . . 0.0 111.387 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.666 0.27 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -150.74 125.93 9.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.353 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.415 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 47.9 t30 -142.31 142.19 32.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 32.7 t80 -56.12 -48.54 76.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.93 -44.94 94.69 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.415 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 74.6 p -66.27 -43.42 86.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.383 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.91 -44.55 97.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.431 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 64.5 t-105 -56.26 -48.91 75.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.5 97.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.152 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -61.14 -50.38 73.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.5 m -64.51 -39.24 93.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.67 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.262 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.73 -52.42 17.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.24 -50.94 62.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.196 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -81.04 130.72 35.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.718 0.294 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -78.23 -132.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.203 0.525 . . . . 0.0 111.412 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.443 HG13 ' CD1' ' A' ' 18' ' ' TYR . 28.4 pt -70.71 -2.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.395 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.637 ' CD2' HG23 ' A' ' 34' ' ' VAL . 5.5 m-85 -97.43 4.15 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.252 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.47 124.22 23.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.271 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -99.16 -74.11 0.6 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -143.84 171.73 13.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.871 0.367 . . . . 0.0 110.477 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.62 154.27 45.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.17 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 25.8 p90 -167.26 162.96 15.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -97.57 115.37 27.73 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 59.3 t0 -98.05 109.53 22.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.801 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 65.25 -84.59 0.03 OUTLIER 'General case' 0 C--O 1.23 0.066 0 O-C-N 123.956 0.785 . . . . 0.0 110.074 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -150.36 32.05 0.66 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -138.74 134.58 33.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.275 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.57 118.84 13.88 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -108.59 122.41 47.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.2 133.75 44.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.326 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -108.13 131.35 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -163.75 156.55 18.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.312 0.577 . . . . 0.0 111.496 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.637 HG23 ' CD2' ' A' ' 18' ' ' TYR . 5.4 m -99.08 162.83 2.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.734 178.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -109.29 -38.38 5.51 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.109 0.481 . . . . 0.0 110.689 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.201 -1.333 . . . . 0.0 111.031 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.742 0.306 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.7 137.81 40.37 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.593 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.9 t-20 -107.09 131.43 54.12 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.21 -52.91 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.777 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.76 -41.2 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 32.2 t -62.7 -43.0 99.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.757 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.44 -48.17 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.159 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.717 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.4 -49.3 74.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.02 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.398 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.2 m -60.96 -50.18 74.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.5 m -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.419 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -65.86 -38.95 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.75 66.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.31 -51.71 34.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.033 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -88.8 123.51 33.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.546 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -82.0 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 0.0 111.718 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 pt -68.2 -1.13 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.773 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.4 -15.96 20.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 65.0 t80 -64.01 130.51 44.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.695 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -107.72 -71.69 0.75 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -143.35 170.03 16.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.777 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.717 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 145.48 34.6 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -163.69 162.85 24.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.15 125.33 43.12 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.014 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -107.41 125.41 51.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 65.09 -93.11 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 m -150.64 34.47 0.62 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -140.29 137.74 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.908 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.05 131.63 46.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.096 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -118.33 123.23 44.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.892 0.377 . . . . 0.0 110.127 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 78.9 m -101.45 134.08 45.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.29 132.07 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -159.94 162.91 34.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.102 0.477 . . . . 0.0 111.169 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.5 m -97.82 160.09 3.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.511 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -89.28 -27.96 20.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.042 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.537 -1.146 . . . . 0.0 111.852 179.706 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.181 0.515 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.2 p -150.44 131.38 14.25 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.587 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 22.4 t-20 -111.4 132.35 54.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.783 -178.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -64.53 -52.66 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.44 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -59.8 -42.26 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.587 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 28.8 t -65.29 -42.7 92.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.64 -48.07 78.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.935 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.8 t-105 -57.62 -47.01 83.4 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.766 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.92 -46.24 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.277 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.2 m -62.47 -48.37 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.63 -40.44 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.49 -42.39 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.65 87.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.209 0.528 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.071 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 86.6 m-70 -92.56 126.02 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 111.661 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.3 -120.53 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.432 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.558 HG13 ' CD1' ' A' ' 18' ' ' TYR . 27.5 pt -66.57 -8.98 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.558 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.7 m-85 -97.4 -1.05 45.21 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.549 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.5 t80 -71.42 122.38 20.27 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.048 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -99.83 -71.97 0.68 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 35.5 ptt180 -143.31 171.71 13.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.13 148.05 37.67 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 21.9 p90 -166.69 167.47 15.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.98 116.87 31.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 9.4 t70 -99.59 115.35 29.18 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 64.78 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.822 0.701 . . . . 0.0 110.163 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -150.59 29.84 0.68 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.338 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -137.28 140.75 41.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.632 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 t -72.02 126.26 29.31 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -115.43 123.44 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.981 0.42 . . . . 0.0 110.554 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.45 133.57 43.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.355 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 21.6 t -108.65 123.19 64.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -154.58 150.96 28.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.5 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.431 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 11.4 m -99.39 164.58 2.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.022 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -116.84 -36.49 3.85 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.442 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.038 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.6 p -152.02 146.18 25.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.857 0.36 . . . . 0.0 110.628 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.588 ' HB3' ' HB3' ' A' ' 6' ' ' SER . 21.1 t-20 -113.75 129.39 56.58 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.01 -56.88 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -60.22 -40.82 91.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.905 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.588 ' HB3' ' HB3' ' A' ' 3' ' ' ASN . 48.4 t -60.34 -45.57 92.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.15 -46.48 87.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.063 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.702 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 65.5 t-105 -54.77 -50.25 68.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.241 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.52 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.16 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.7 m -59.71 -48.89 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.342 0.592 . . . . 0.0 110.526 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.25 -37.75 75.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -65.87 -40.65 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.599 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.25 58.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.61 -54.59 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 64.9 m-70 -76.27 136.14 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.305 0.574 . . . . 0.0 111.437 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -83.29 -134.98 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.35 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.3 pt -69.31 2.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 120.909 0.385 . . . . 0.0 112.006 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -97.39 -3.89 39.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.059 0.457 . . . . 0.0 109.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 49.0 t80 -67.89 124.73 24.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.082 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 -99.74 -76.44 0.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 38.6 ptt180 -143.33 172.35 12.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.318 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.702 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.46 148.11 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.975 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -164.1 165.05 22.64 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.1 t -97.24 123.9 41.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.213 0.53 . . . . 0.0 109.893 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.93 120.0 41.09 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.852 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 67.24 -87.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.797 0.685 . . . . 0.0 110.106 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.7 t -150.55 27.34 0.74 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -139.98 151.2 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.402 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.76 128.44 35.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.848 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -113.67 119.37 37.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -100.39 133.68 44.46 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.177 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.7 t -107.06 124.17 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -160.77 152.19 19.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 m -99.06 158.18 3.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.322 0.582 . . . . 0.0 110.816 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.1 mtm-85 -110.92 -37.02 5.51 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.895 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.012 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.0 p -116.98 146.28 43.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.8 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.616 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 20.9 t-20 -130.01 134.59 47.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -62.71 -55.03 30.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -60.46 -46.35 90.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.773 0.32 . . . . 0.0 110.214 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.616 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 52.4 m -59.49 -42.69 92.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -67.33 -47.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.376 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.687 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 55.2 t-105 -57.23 -48.44 78.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.302 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.61 95.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.281 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -63.13 -52.45 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.92 -39.31 94.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.487 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.82 -41.28 87.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.671 0.272 . . . . 0.0 111.628 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.78 61.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.872 0.367 . . . . 0.0 111.55 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -69.07 -47.89 64.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.974 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -79.75 143.52 34.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -81.71 -139.86 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.871 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.508 HG13 ' CD1' ' A' ' 18' ' ' TYR . 35.6 pt -71.21 -1.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD1' HG13 ' A' ' 17' ' ' ILE . 5.5 m-85 -98.75 15.3 25.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 110.771 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -76.13 127.81 33.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.647 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -99.03 -78.99 0.49 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.505 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 40.2 ptt180 -142.93 173.89 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 110.566 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.91 142.13 33.03 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -160.15 172.51 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.6 118.29 33.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.535 0.683 . . . . 0.0 110.337 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.1 t70 -106.44 117.06 33.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.329 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 65.21 -86.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.758 0.661 . . . . 0.0 110.012 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -150.86 29.66 0.66 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.555 0.693 . . . . 0.0 109.343 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 17.9 pt20 -137.48 150.14 47.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.908 -178.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.44 120.54 21.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -108.11 123.89 49.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.926 0.393 . . . . 0.0 110.157 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.3 132.55 44.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.688 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.505 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.4 t -109.78 127.6 66.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -159.37 151.6 21.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.142 0.496 . . . . 0.0 111.186 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 18' ' ' TYR . 5.3 m -100.54 161.02 3.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.146 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -109.06 -4.28 16.74 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.251 0.548 . . . . 0.0 110.563 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.75 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.963 0.411 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 p -92.1 130.19 37.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.3 t-20 -106.23 131.76 53.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.908 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -63.15 -52.26 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.403 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -58.93 -45.19 91.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 110.285 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.649 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 49.5 m -63.17 -44.76 94.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.821 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -61.87 -45.63 92.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.331 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.575 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.8 t-105 -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.047 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.934 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.7 m -60.02 -48.05 83.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 111.132 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.3 m -68.44 -42.01 79.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.023 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.79 -33.02 71.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.656 0.265 . . . . 0.0 111.696 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.883 0.373 . . . . 0.0 110.68 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 -55.07 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.345 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -83.76 120.46 26.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.317 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.8 m -89.24 -107.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.487 HG13 ' CD1' ' A' ' 18' ' ' TYR . 24.4 pt -73.09 -9.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.5 m-85 -97.75 3.67 50.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.116 0.484 . . . . 0.0 109.954 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -77.1 127.43 32.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.765 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -98.91 -79.55 0.48 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 30.8 ptt180 -143.29 178.23 7.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.783 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.97 148.08 38.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 11.8 p90 -165.49 166.73 18.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.23 118.34 33.46 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.341 0.591 . . . . 0.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 66.1 t0 -99.97 116.49 32.15 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 65.2 -86.86 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.825 0.703 . . . . 0.0 110.062 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 p -151.25 30.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.76 0.791 . . . . 0.0 108.999 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.51 141.61 41.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.102 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.52 125.15 25.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -113.41 124.22 51.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 0.0 110.455 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.14 131.93 46.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.521 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 14.6 t -105.12 129.61 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -158.87 155.15 27.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 110.946 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -98.0 160.52 3.07 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.804 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -112.67 -34.82 5.69 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.044 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.561 -1.133 . . . . 0.0 111.856 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.804 0.335 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 t -150.2 121.32 7.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -141.72 141.18 33.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.757 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -52.03 -54.97 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.98 -41.81 99.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.214 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -63.8 -45.23 90.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.105 0.479 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.49 -43.63 93.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.776 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 58.8 t-105 -57.39 -48.11 79.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.93 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.896 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -64.93 -52.94 53.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.803 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 72.2 m -64.34 -40.12 95.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.896 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.88 -37.9 89.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.922 0.392 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.65 -46.04 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.171 0.51 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.1 -51.88 58.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.845 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.9 m-70 -93.68 130.41 39.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.796 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -77.48 -130.02 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.24 2.52 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -97.4 -10.13 26.06 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 48.9 t80 -64.68 126.32 27.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.204 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 22.0 tpp180 -99.0 -74.41 0.59 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 39.2 ptt180 -143.27 169.77 17.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.776 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.22 35.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -160.16 165.66 31.22 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.699 0.285 . . . . 0.0 110.603 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.27 113.63 25.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.219 0.533 . . . . 0.0 110.088 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -99.23 112.84 24.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 63.43 -87.62 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 O-C-N 123.78 0.675 . . . . 0.0 110.07 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.8 t -150.94 33.21 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -139.36 131.17 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.142 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.52 124.4 22.69 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.042 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -111.64 122.98 49.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.882 0.372 . . . . 0.0 110.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.2 m -103.33 133.24 48.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.572 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.484 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 16.5 t -110.56 131.22 62.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -164.26 155.39 15.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.09 0.471 . . . . 0.0 111.328 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -98.04 172.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.61 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 mtm105 -136.86 28.5 2.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.309 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.31 -1.272 . . . . 0.0 111.725 -179.669 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.746 0.308 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.8 p -128.71 133.27 48.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.108 0.48 . . . . 0.0 110.619 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.597 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 2.0 t-20 -110.48 130.51 55.54 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.46 -51.84 65.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.608 0.242 . . . . 0.0 111.057 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -58.86 -41.84 87.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.597 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 19.5 p -66.72 -45.17 79.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.246 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.49 -46.14 89.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.478 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.9 t-105 -57.71 -47.48 82.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.212 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.24 97.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.193 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 47.5 m -62.75 -50.6 70.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.74 -40.69 95.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.567 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -37.33 85.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.09 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.12 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 10' ' ' THR . 89.9 mt-30 -66.11 -40.32 90.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.965 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 93.3 m-70 -107.05 129.07 54.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.91 0.386 . . . . 0.0 111.705 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -79.93 -121.81 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.692 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -70.35 -1.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.721 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -97.76 -7.61 30.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.393 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.0 t80 -67.78 124.86 24.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -99.73 -77.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.486 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 17.3 ptt180 -143.99 -178.02 5.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.017 178.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.32 153.18 43.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.34 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.418 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -166.71 163.66 16.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.141 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.18 120.47 38.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 62.2 t0 -99.15 111.48 23.86 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 66.6 -85.48 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.146 0 O-C-N 123.845 0.716 . . . . 0.0 109.861 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 t -150.66 33.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -139.69 134.0 31.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.944 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.1 t -65.52 124.68 22.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -116.48 124.13 49.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.01 0.433 . . . . 0.0 110.038 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.3 m -99.44 134.95 41.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.343 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.486 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 15.5 t -102.4 129.53 53.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.92 153.91 28.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.377 0.608 . . . . 0.0 111.797 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -99.21 162.18 2.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.15 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -142.28 36.73 1.53 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.847 0 CA-C-O 118.889 -0.951 . . . . 0.0 111.935 179.654 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 p -89.65 134.89 33.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.073 0.463 . . . . 0.0 111.16 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.409 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 56.4 t30 -126.55 129.41 48.55 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.9 -56.02 25.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.91 -41.17 91.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 111.096 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 24.1 m -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 t -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.037 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.684 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.6 t-105 -56.78 -48.24 78.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.098 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.87 99.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.433 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -63.12 -50.46 70.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -63.72 -42.04 97.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.67 70.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.899 0.38 . . . . 0.0 111.315 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.46 -52.28 10.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.003 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -78.61 137.61 37.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -80.17 -129.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.84 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.4 pt -77.56 2.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -98.1 0.89 46.94 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -68.34 125.18 25.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.798 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 7.7 tpm_? -99.55 -75.22 0.57 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.988 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 20.6 ptt180 -143.46 170.18 16.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.684 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.48 145.02 34.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -163.32 171.91 15.43 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -98.2 117.83 33.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.228 0.537 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -99.38 107.89 20.25 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 67.51 -84.74 0.03 OUTLIER 'General case' 0 C--O 1.231 0.094 0 O-C-N 123.919 0.762 . . . . 0.0 109.746 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 p -150.39 31.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.717 0.77 . . . . 0.0 109.228 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.82 139.26 44.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.116 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 t -71.15 119.7 15.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -109.45 125.71 52.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.913 0.387 . . . . 0.0 110.658 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.4 m -102.43 133.52 47.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.184 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 19.3 t -111.53 133.37 57.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -155.42 151.37 27.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.935 0.398 . . . . 0.0 111.089 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -98.79 164.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.885 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -142.32 45.69 1.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.7 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.943 -0.92 . . . . 0.0 112.079 -179.455 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.829 0.347 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.11 134.91 39.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.994 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -106.96 134.65 49.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -58.89 -54.85 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.954 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -58.65 -39.5 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 t -62.84 -46.82 86.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.106 0.479 . . . . 0.0 109.974 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.29 -45.7 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.613 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.685 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 57.0 t-105 -57.43 -49.93 74.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -43.47 96.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.367 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -60.49 -46.7 89.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.028 0.442 . . . . 0.0 111.429 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.53 -37.8 74.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.2 -41.54 94.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.779 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.44 76.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.734 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -70.33 -52.22 24.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 89.0 m-70 -83.02 135.46 34.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.955 0.407 . . . . 0.0 111.896 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -83.45 -132.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.0 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 18' ' ' TYR . 38.7 pt -68.79 -1.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.174 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HD2' ' O ' ' A' ' 34' ' ' VAL . 5.8 m-85 -97.64 -3.09 40.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.031 0.443 . . . . 0.0 109.822 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 46.6 t80 -68.94 124.16 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.484 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -100.48 -74.61 0.6 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.854 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 36.3 ptt180 -143.11 176.25 9.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.685 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.88 141.81 33.06 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 13.4 p90 -156.22 162.8 40.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.828 0.346 . . . . 0.0 110.257 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.77 120.53 38.32 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.543 0.687 . . . . 0.0 109.528 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 6.3 t70 -99.15 115.01 28.08 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 66.4 -85.92 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.964 0.79 . . . . 0.0 109.626 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 p -150.93 32.69 0.6 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -140.13 138.48 35.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.426 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.31 126.83 30.82 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' ' 30' ' ' LYS . 15.0 tppt? -116.97 126.77 53.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.4 m -99.58 135.3 41.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.6 t -109.52 125.96 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -151.4 149.64 29.52 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.223 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.425 ' O ' ' HD2' ' A' ' 18' ' ' TYR . 9.5 m -97.87 161.21 2.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.439 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -130.45 40.56 3.5 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.329 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 119.087 -0.841 . . . . 0.0 111.038 -179.568 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.757 0.313 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.4 t -150.53 117.71 5.99 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -140.97 135.4 31.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.111 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -55.66 -55.55 30.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -61.83 -44.47 96.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.762 0.315 . . . . 0.0 111.416 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -62.89 -43.86 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -64.0 -45.17 90.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.542 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.728 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 53.2 t-105 -57.03 -46.49 82.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.31 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.39 94.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.887 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 m -61.6 -52.45 64.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.539 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.6 m -63.09 -41.39 99.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.822 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -67.27 -42.75 83.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.33 . . . . 0.0 111.597 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.42 75.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -50.76 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -82.32 138.77 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.3 p -76.16 -135.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.142 0.496 . . . . 0.0 112.11 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 pt -73.73 2.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.737 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -96.79 -1.52 46.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.921 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.25 127.6 32.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.315 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -99.2 -78.41 0.5 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 32.8 ptt180 -143.02 174.02 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.153 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.728 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.69 149.5 38.91 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -164.32 167.9 19.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.858 0.361 . . . . 0.0 110.765 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.48 111.85 23.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.124 0.487 . . . . 0.0 110.255 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -100.31 110.03 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 64.03 -86.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.783 0.677 . . . . 0.0 110.733 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -149.75 34.03 0.69 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -140.53 139.22 35.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.287 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -73.86 118.65 17.06 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -103.2 122.14 44.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.891 0.377 . . . . 0.0 110.214 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.0 m -101.65 130.08 47.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.472 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 17.9 t -109.3 132.36 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.468 ' CE2' ' HD3' ' A' ' 35' ' ' ARG . 36.3 p90 -159.53 156.19 27.72 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.8 m -97.74 161.3 2.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.66 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HD3' ' CE2' ' A' ' 33' ' ' PHE . 46.3 mmm-85 -119.7 35.31 4.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.436 0.636 . . . . 0.0 109.639 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.813 0 CA-C-O 119.003 -0.887 . . . . 0.0 111.084 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.871 0.367 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.2 t -150.17 135.25 17.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.771 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.686 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 22.5 t-20 -140.57 137.14 33.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.216 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' HD1' ' HA ' ' A' ' 23' ' ' PHE . 12.4 t80 -59.66 -56.89 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.5 -43.87 97.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.541 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.686 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 47.5 m -62.42 -39.49 93.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.383 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 -43.03 91.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.79 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.901 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 56.1 t-105 -55.01 -49.72 70.81 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.86 99.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.313 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.6 m -61.22 -51.34 69.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.368 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -63.89 -40.92 97.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -66.45 -35.17 79.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.194 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.9 64.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.776 0.322 . . . . 0.0 111.479 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -70.61 -52.2 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.049 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -77.87 139.75 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.984 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -77.22 -136.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.366 0.603 . . . . 0.0 111.985 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG13 ' CD1' ' A' ' 18' ' ' TYR . 41.7 pt -76.53 5.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.234 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.404 ' CD1' HG13 ' A' ' 17' ' ' ILE . 2.9 m-85 -97.39 -4.42 38.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.174 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.92 127.56 31.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.328 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -98.01 -77.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 34.5 ptt180 -142.94 170.68 15.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.802 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.901 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.92 146.1 35.32 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.504 ' HA ' ' HD1' ' A' ' 4' ' ' PHE . 22.2 p90 -162.17 163.21 28.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.64 115.28 28.32 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -104.24 125.09 50.22 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 61.09 -90.66 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.779 0.674 . . . . 0.0 109.822 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 p -150.22 34.44 0.65 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -139.27 137.92 36.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.282 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.7 t -74.66 122.42 23.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -111.96 128.37 56.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.552 . . . . 0.0 111.051 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.0 m -105.31 132.26 51.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.333 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.468 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 21.2 t -112.17 133.64 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.443 ' HE2' ' HD3' ' A' ' 35' ' ' ARG . 46.5 p90 -164.1 156.32 16.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 110.978 -177.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.3 m -98.3 165.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.154 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.443 ' HD3' ' HE2' ' A' ' 33' ' ' PHE . 26.5 mmm180 -114.11 -36.71 4.65 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.398 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.811 0 CA-C-O 118.936 -0.924 . . . . 0.0 111.431 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.2 p -150.12 137.34 19.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.073 0.463 . . . . 0.0 110.873 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -104.29 129.25 52.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.447 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HE1' ' O ' ' A' ' 22' ' ' ALA . 36.4 t80 -60.85 -50.78 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.642 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.7 -40.27 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.352 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -64.65 -48.03 76.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.11 -48.53 81.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.6 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 59.5 t-105 -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.13 97.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.318 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.545 HG22 HE21 ' A' ' 14' ' ' GLN . 34.9 m -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.945 0.402 . . . . 0.0 110.951 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.0 m -64.78 -40.42 95.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.74 -38.81 90.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.545 HE21 HG22 ' A' ' 10' ' ' THR . 65.7 mt-30 -76.67 -54.6 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.1 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 65.8 m-70 -88.22 127.59 35.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.46 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -89.93 -117.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.278 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.8 pt -68.28 -9.36 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.484 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.1 m-85 -95.82 -3.44 45.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' HB2' ' HB2' ' A' ' 15' ' ' HIS . 52.5 t80 -72.62 125.24 27.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.658 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -99.3 -75.18 0.57 Allowed 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 26.7 ptt180 -142.86 178.48 7.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.916 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -141.77 149.0 39.86 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 14.7 p90 -163.68 160.96 23.31 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 123.426 0.454 . . . . 0.0 109.791 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.45 120.5 38.97 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.719 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' HB2' ' HE1' ' A' ' 23' ' ' PHE . 36.3 t70 -98.57 121.58 40.69 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 64.14 -89.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.662 0.601 . . . . 0.0 109.435 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.8 m -149.11 30.12 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -137.35 138.31 39.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.68 132.5 48.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.41 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -125.02 128.65 48.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.9 m -103.13 136.5 42.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.019 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 20.9 t -104.29 123.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -156.76 149.99 24.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 111.116 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m -98.8 170.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.692 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -36.58 3.05 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.674 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 119.166 -0.797 . . . . 0.0 111.145 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.596 0.236 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.4 t -88.54 125.88 34.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.754 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 18.7 t-20 -140.58 138.8 34.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.213 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -59.88 -58.21 9.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -61.09 -44.74 96.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 0.0 110.339 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.754 ' HB2' ' HB3' ' A' ' 3' ' ' ASN . 73.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.21 -45.45 80.66 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.822 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 62.9 t-105 -54.98 -49.86 70.4 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.195 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.67 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.901 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 m -60.09 -51.87 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.339 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.2 m -63.72 -40.65 97.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HB3' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -65.54 -38.43 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.831 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -46.71 59.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.898 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -84.59 141.17 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 0.0 112.063 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 p -79.53 -134.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.077 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.512 HG13 ' CD1' ' A' ' 18' ' ' TYR . 29.7 pt -74.68 -4.59 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.512 ' CD1' HG13 ' A' ' 17' ' ' ILE . 6.8 m-85 -98.87 16.04 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 0.0 110.658 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -75.35 127.07 32.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.559 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -99.59 -80.63 0.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -141.9 173.14 11.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.946 0.403 . . . . 0.0 110.586 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.54 148.96 38.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.527 -0.76 . . . . 0.0 108.991 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -159.08 165.2 34.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.733 0.301 . . . . 0.0 110.708 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.4 t -96.43 117.73 31.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.226 0.536 . . . . 0.0 109.794 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -105.52 110.27 22.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 64.76 -85.87 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.674 0.609 . . . . 0.0 110.581 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.6 t -150.67 32.27 0.63 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -140.69 138.39 34.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.347 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.36 124.56 25.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -110.79 122.64 48.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.8 m -100.32 135.73 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.7 t -113.42 126.85 70.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.89 149.71 27.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.028 0.442 . . . . 0.0 111.224 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -100.67 166.85 2.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.046 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' ARG . 23.4 mmt85 -135.98 34.64 2.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.328 0.585 . . . . 0.0 109.855 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.709 179.77 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.1 p -88.16 132.69 34.23 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.511 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 17.0 t-20 -106.34 135.69 47.38 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.372 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -62.28 -48.79 78.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.997 0.427 . . . . 0.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.59 -41.26 98.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.511 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 72.7 p -65.42 -41.85 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.36 -45.18 92.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.654 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.558 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 57.2 t-105 -57.31 -45.75 83.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.14 92.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 m -61.28 -50.84 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.832 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.7 m -61.1 -40.36 93.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.084 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -68.68 -32.12 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.051 0.453 . . . . 0.0 110.626 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -42.32 63.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 0.0 110.545 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -73.07 -45.61 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.636 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -97.7 127.89 43.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.977 0.417 . . . . 0.0 111.843 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -83.16 -123.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.605 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.502 HG13 ' CD1' ' A' ' 18' ' ' TYR . 32.5 pt -68.6 -3.81 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CD1' HG13 ' A' ' 17' ' ' ILE . 4.1 m-85 -98.25 -0.68 43.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.836 0.35 . . . . 0.0 110.409 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.6 126.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.801 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -99.51 -80.55 0.47 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 30.7 ptt180 -143.04 178.51 7.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.828 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . . . -142.25 151.59 42.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.046 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -167.86 160.11 12.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.779 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -97.36 123.48 41.2 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -99.7 114.81 28.15 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 67.03 -86.94 0.03 OUTLIER 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.823 0.702 . . . . 0.0 109.519 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 p -150.37 29.49 0.7 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.643 0.735 . . . . 0.0 109.436 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -134.21 139.01 45.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.954 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -117.76 123.84 46.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.4 m -102.05 134.32 45.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.865 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 21' ' ' ARG . 12.9 t -106.09 129.93 58.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -160.04 156.63 27.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 m -97.52 160.56 2.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.178 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -110.91 -36.29 5.72 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.016 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 CA-C-O 118.328 -1.262 . . . . 0.0 111.298 179.562 . . . . . . . . 0 0 . 1 stop_ save_