data_2lr9_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 2lr9 _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 ' 2' ' ' ASN . . . . . 0.475 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.3 t30 . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -61.5 -22.35 65.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.184 0.516 . . . . 0.0 111.082 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.475 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.9 mtt180 -63.18 -22.94 67.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.964 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.46 -32.44 71.39 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.136 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.629 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 4.0 m -70.87 -13.48 62.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 mt -95.49 -12.78 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.513 0.673 . . . . 0.0 109.456 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.76 109.05 59.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.755 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.81 -36.13 14.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.558 2.839 . . . . 0.0 113.848 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.13 80.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.77 -33.02 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 0.0 110.529 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.629 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.6 ttp180 -65.9 -30.56 71.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.316 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -64.11 -35.16 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.711 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -89.12 -26.82 21.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.772 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -110.77 36.67 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.067 0.461 . . . . 0.0 110.936 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.1 tptp -65.74 -22.98 66.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.075 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -75.24 -35.15 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -78.63 -44.75 23.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 -179.719 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.474 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.2 t30 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -60.83 -23.56 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.337 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.536 ' HD2' HD13 ' A' ' 7' ' ' LEU . 11.0 mmm180 -62.39 -24.36 67.34 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.175 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.46 -12.61 60.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.536 HD13 ' HD2' ' A' ' 4' ' ' ARG . 95.6 mt -100.44 -0.47 37.98 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.353 0.596 . . . . 0.0 109.514 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.51 107.17 36.85 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.16 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -44.35 -33.93 6.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.815 3.01 . . . . 0.0 114.344 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.42 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.14 -30.24 17.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 0.0 110.753 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -64.87 -34.22 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.422 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -66.1 -30.15 70.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.847 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -88.57 -27.81 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.249 0.547 . . . . 0.0 110.546 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -112.23 35.3 3.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.071 0.462 . . . . 0.0 110.474 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 13.5 tptp -65.55 -21.26 66.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -78.59 -27.71 45.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.1 -41.74 12.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.413 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 -179.727 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.4 t30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.802 0.334 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.9 -20.65 63.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.456 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.2 mtp180 -62.77 -25.65 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.757 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.48 -31.74 70.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.234 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -71.31 -14.19 62.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.2 -7.71 38.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.462 0.649 . . . . 0.0 109.457 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -115.09 110.21 46.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.668 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.46 -29.73 14.26 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 123.436 2.757 . . . . 0.0 113.602 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.916 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.69 -28.83 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.301 . . . . 0.0 111.437 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -61.3 -37.94 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -66.79 -26.1 66.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.423 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -89.44 -27.8 20.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.235 0.54 . . . . 0.0 110.761 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -114.44 36.35 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.494 . . . . 0.0 110.34 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.2 tptp -63.48 -20.93 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -77.56 -27.37 51.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.955 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -87.88 -42.33 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.557 -179.762 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 46.3 t30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.779 0.323 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -61.35 -22.6 65.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.234 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtt180 -63.27 -24.74 68.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.63 -31.18 71.25 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.128 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.476 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 5.0 m -71.53 -13.81 61.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.4 mt -97.86 -2.13 41.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.403 0.621 . . . . 0.0 109.679 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.6 mt -119.14 111.34 37.01 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.114 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.24 -12.86 6.06 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.541 2.827 . . . . 0.0 113.735 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.51 -34.15 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.982 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.19 -32.96 13.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.949 0.404 . . . . 0.0 110.467 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.3 ttt180 -68.03 -22.07 64.99 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 110.142 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -64.18 -37.17 86.51 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.393 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -90.71 -26.1 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -108.28 31.43 5.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.5 -15.21 63.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -78.71 -23.55 45.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.819 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -97.1 -43.34 7.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.28 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.1 m . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.914 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.478 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 40.0 t-20 . . . . . 0 C--O 1.234 0.289 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -61.29 -21.64 64.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.839 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.478 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.4 mmt180 -63.03 -27.01 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.54 -30.11 71.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.097 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 3.3 m -72.18 -15.4 61.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -99.77 0.15 41.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.504 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.7 mt -120.83 107.89 37.59 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.88 -19.57 11.4 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 123.376 2.717 . . . . 0.0 113.501 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.05 -35.17 32.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.326 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -92.89 -35.68 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.83 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 18.7 ttt180 -67.38 -19.94 65.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.076 0.465 . . . . 0.0 110.616 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.86 -39.97 91.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.367 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -96.31 -22.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.486 0.66 . . . . 0.0 110.025 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -101.52 29.76 4.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -67.72 -20.52 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.473 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -77.88 -40.48 39.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.038 0.447 . . . . 0.0 110.278 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -72.36 -49.06 36.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.39 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.09 -179.088 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.094 0.473 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -61.49 -21.0 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -60.93 -23.21 65.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.122 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.76 -33.58 70.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.572 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -73.25 -7.16 50.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.213 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 66.5 mt -96.86 -10.48 26.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 mt -114.14 109.07 49.67 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -42.56 -36.7 4.9 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.879 3.053 . . . . 0.0 114.282 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.21 83.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.04 -24.11 21.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.526 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -64.75 -33.34 75.73 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.967 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.85 -32.51 72.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.915 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -89.21 -27.41 20.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -104.26 26.54 8.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 0.0 110.584 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 12.6 tptp -70.57 -21.65 62.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.936 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 7.2 tptp -75.18 -47.21 29.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.94 -50.79 61.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.142 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.783 -179.255 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 C--O 1.232 0.145 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -60.21 -20.97 61.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.463 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -62.65 -25.06 67.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.913 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 m -61.31 -30.22 70.36 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.407 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.8 m -70.79 -15.84 62.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.28 -4.37 38.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.461 0.648 . . . . 0.0 109.411 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mt -120.75 105.52 40.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.269 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -46.14 -35.2 14.59 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.636 2.89 . . . . 0.0 113.681 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.34 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.75 -35.36 15.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.592 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 36.6 ttt180 -66.77 -27.34 67.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.93 -40.61 66.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -103.29 11.74 36.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.597 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.63 24.66 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.717 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.29 -26.5 68.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.639 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -71.57 -25.68 62.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.43 -47.03 7.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.216 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.8 m . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.295 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.507 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.4 t30 . . . . . 0 C--O 1.231 0.113 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.22 -23.38 65.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.113 0.482 . . . . 0.0 111.25 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.622 ' HD3' HD13 ' A' ' 7' ' ' LEU . 14.9 mmt180 -62.75 -23.65 67.3 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.3 -32.93 71.68 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.204 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.654 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -71.79 -12.97 61.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.76 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.622 HD13 ' HD3' ' A' ' 4' ' ' ARG . 92.6 mt -98.72 -8.44 26.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.478 0.656 . . . . 0.0 109.548 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.27 108.46 54.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.427 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.94 -36.84 11.62 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.676 2.917 . . . . 0.0 114.017 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.05 82.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.81 -32.41 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.71 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.654 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.9 ttp180 -66.16 -31.86 72.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.675 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 13' ' ' ARG . 5.4 mmm180 -65.06 -32.78 74.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.156 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.65 -27.77 19.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.171 0.51 . . . . 0.0 110.723 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -111.21 33.52 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -66.58 -21.31 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -72.14 -35.42 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.12 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.2 -42.72 18.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.149 0.5 . . . . 0.0 110.391 -179.738 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.437 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 53.0 t30 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -60.33 -22.08 62.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.256 0.55 . . . . 0.0 111.149 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.437 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 15.5 mtp180 -62.46 -24.33 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 m -60.05 -32.84 71.3 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.168 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.639 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -70.61 -14.07 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.74 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.4 mt -95.22 -13.55 24.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.511 0.672 . . . . 0.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -109.24 108.4 60.25 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.789 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.33 -35.82 12.08 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.643 2.895 . . . . 0.0 113.919 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.35 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.89 -31.74 17.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.639 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.7 ttp180 -66.13 -30.59 71.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -65.23 -32.44 74.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.923 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -89.48 -26.96 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.227 0.537 . . . . 0.0 110.724 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -112.2 33.51 4.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.69 -21.74 66.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -75.05 -26.43 59.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.755 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -90.38 -42.7 10.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.968 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.337 -179.76 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.476 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 47.4 t30 . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -61.04 -22.04 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.476 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.4 mtt180 -63.02 -24.32 67.87 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.19 -31.7 70.39 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.293 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.538 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 5.1 m -71.0 -14.36 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 mt -100.59 -1.11 36.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 0.0 109.871 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 53.1 mt -118.62 112.13 37.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.256 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 15.3 Cg_endo -57.44 -13.49 13.52 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.465 2.777 . . . . 0.0 113.229 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.84 -31.33 22.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.987 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.96 -37.7 9.28 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.0 ttt180 -67.12 -18.39 65.28 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.253 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -53.72 -48.56 69.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.641 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -97.18 -15.89 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.269 0.557 . . . . 0.0 110.528 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -101.86 22.14 13.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.001 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -65.93 -22.68 66.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.657 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -68.16 -46.72 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.57 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -74.58 -43.62 54.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.309 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.462 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.6 t30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.785 0.326 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -61.12 -23.81 65.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.462 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 5.8 mmm180 -62.38 -24.03 67.15 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.356 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.6 m -61.09 -31.42 71.1 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.299 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 3.9 m -71.52 -16.28 62.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.57 4.64 43.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.434 0.635 . . . . 0.0 109.418 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.17 103.64 23.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.145 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -44.08 -35.89 8.05 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.805 3.003 . . . . 0.0 113.987 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.02 88.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -90.32 -32.04 16.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.766 0.317 . . . . 0.0 111.058 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 28.6 ttt180 -66.16 -28.72 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 69.8 mtt180 -61.61 -34.11 75.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.683 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -90.16 -27.24 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -108.46 35.89 3.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.166 0.508 . . . . 0.0 111.146 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 19.2 ptpt -70.88 -7.54 46.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -81.8 -24.94 35.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -101.29 -42.15 6.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.906 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.2 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.916 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -60.67 -21.4 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.518 ' HD3' HD11 ' A' ' 7' ' ' LEU . 15.9 mmt180 -61.92 -25.11 67.38 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.982 0.42 . . . . 0.0 111.293 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.17 -30.58 70.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.531 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.457 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 4.7 m -71.75 -15.16 62.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.518 HD11 ' HD3' ' A' ' 4' ' ' ARG . 75.9 mt -100.39 -0.62 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.428 0.632 . . . . 0.0 109.368 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.4 mt -120.37 105.27 41.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.519 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 86.7 Cg_exo -47.62 -30.99 13.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.472 2.781 . . . . 0.0 113.684 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.41 -37.43 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.86 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -89.69 -34.63 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.676 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 30.9 ttt180 -68.7 -23.23 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.354 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 10.5 tpt180 -55.85 -43.43 77.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.921 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -91.03 -21.23 21.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.39 0.614 . . . . 0.0 110.621 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -104.97 39.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.804 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -68.12 -25.55 65.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.437 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 15.2 mmtt -80.24 -25.38 39.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -84.11 -50.09 8.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.247 0.546 . . . . 0.0 109.961 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.4 m . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.226 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.495 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 33.1 t-20 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -60.25 -23.17 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.495 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 39.6 mtp180 -63.48 -26.59 68.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.065 0.459 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.0 m -62.72 -30.79 71.68 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.99 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.0 m -72.26 -14.97 61.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.4 -9.24 36.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 0.0 109.496 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.7 mt -116.32 107.09 47.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.11 -33.98 12.45 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.524 2.816 . . . . 0.0 113.589 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.66 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t -89.82 -31.67 17.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -65.44 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.174 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -61.44 -33.47 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.938 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -91.02 -27.47 18.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -110.21 36.6 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.104 0.478 . . . . 0.0 111.115 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -67.96 -15.8 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.198 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -84.42 -23.25 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -91.56 -43.79 9.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.017 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.714 -179.611 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.454 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.2 t30 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -61.54 -23.6 66.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.046 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.454 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 16.9 mmt180 -62.26 -23.41 66.67 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.388 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.85 -33.8 72.28 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.114 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.643 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 33.6 m -73.96 -9.98 59.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.771 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.98 -7.62 32.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.9 mt -112.83 112.47 50.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.737 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.37 -23.29 9.98 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.409 2.739 . . . . 0.0 113.894 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.51 -34.43 27.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -95.3 -24.93 16.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.944 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.643 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 36.0 ttp180 -64.17 -29.77 70.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.5 -35.55 72.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.501 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.22 -24.6 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.336 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -111.88 26.23 10.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.059 0.456 . . . . 0.0 111.32 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -74.3 -9.36 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.436 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.32 -43.62 32.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.799 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -77.22 -47.07 21.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.243 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.495 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -61.18 -18.78 59.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.616 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -62.4 -24.2 67.26 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.993 0.425 . . . . 0.0 111.281 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.85 -31.01 70.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.361 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -71.02 -16.43 62.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.756 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.27 -2.45 45.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.474 0.654 . . . . 0.0 109.47 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -119.95 106.07 41.86 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -47.0 -34.08 15.95 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.497 2.798 . . . . 0.0 113.511 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.73 86.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.858 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.19 -39.53 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.746 0.308 . . . . 0.0 110.867 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -25.62 68.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.039 0.447 . . . . 0.0 110.344 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HE ' ' HB3' ' A' ' 13' ' ' ARG . 5.7 ttp180 -58.87 -35.89 73.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.069 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -96.82 -23.1 16.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.609 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -106.86 41.37 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.408 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.21 -37.37 87.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.03 -39.86 87.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.377 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.61 -50.71 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.296 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.857 -179.55 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.441 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.9 t-20 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.966 0.412 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -62.51 -21.64 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.091 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.621 ' HD3' HD13 ' A' ' 7' ' ' LEU . 17.3 mmt180 -63.27 -27.27 69.22 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.61 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.65 -32.02 72.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.921 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.593 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.7 m -71.99 -14.16 61.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.686 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD13 ' HD3' ' A' ' 4' ' ' ARG . 89.7 mt -96.7 -7.62 33.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.39 0.614 . . . . 0.0 109.577 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.81 111.05 48.72 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.694 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.09 -30.29 24.6 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.311 2.674 . . . . 0.0 113.392 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.87 68.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.37 -36.42 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.651 0.263 . . . . 0.0 110.927 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.593 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 42.9 ttp180 -60.76 -34.21 74.11 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 121.107 0.48 . . . . 0.0 110.326 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -57.84 -35.43 70.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.145 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.56 -25.52 21.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -108.44 37.7 2.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.062 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -65.64 -22.42 66.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.451 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -78.94 -34.48 44.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.16 0.505 . . . . 0.0 110.82 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -81.84 -45.44 15.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.6 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.9 m . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.669 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.503 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 43.2 t-20 . . . . . 0 CA--C 1.52 -0.185 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -59.53 -24.53 63.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.865 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.503 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 20.6 mmt180 -63.43 -30.62 71.72 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.229 0.537 . . . . 0.0 110.625 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.8 m -64.78 -29.53 70.5 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.771 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 3.4 m -73.3 -14.78 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.396 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.489 HD12 ' HD3' ' A' ' 4' ' ' ARG . 64.3 mt -97.87 -3.47 38.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.446 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.473 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 48.0 mm -120.53 106.54 39.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 6.9 Cg_endo -48.8 -31.61 20.07 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.394 2.729 . . . . 0.0 113.387 -178.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.45 80.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.583 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.48 -34.52 15.55 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.544 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 25.6 ttt180 -68.39 -25.82 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.831 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -56.84 -43.78 81.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.651 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -97.36 8.69 44.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.652 0.739 . . . . 0.0 110.284 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -131.44 27.85 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.669 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -69.16 -8.1 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.235 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -87.12 -40.99 14.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.49 -46.58 26.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 4.0 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.988 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.849 0.357 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -60.79 -19.71 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.968 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -60.68 -26.75 67.34 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.984 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.57 -33.53 71.56 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.9 m -73.91 -11.65 60.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.902 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.1 -9.71 35.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mm -111.24 112.7 54.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.699 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 -12.78 2.94 Favored 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.577 2.851 . . . . 0.0 113.974 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.63 -34.92 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -96.26 -22.69 17.09 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 111.132 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.49 -27.93 69.48 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.703 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -57.76 -38.09 74.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.664 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -88.96 -19.57 25.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.069 0.461 . . . . 0.0 111.58 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.19 27.06 9.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.0 110.946 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -74.16 -17.11 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.662 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 16.5 mmtt -79.68 -26.0 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.761 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -89.95 -47.66 7.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.733 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.466 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.0 t30 . . . . . 0 C--O 1.232 0.177 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.18 -22.76 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.388 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.466 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtp180 -62.85 -24.46 67.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.026 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.34 -30.68 70.66 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.304 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 7.2 m -71.37 -14.22 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.819 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.94 -0.7 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.406 0.622 . . . . 0.0 109.58 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 mt -120.98 110.41 34.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.987 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.04 -13.83 7.29 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 123.559 2.839 . . . . 0.0 113.609 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.49 -33.68 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.055 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -95.3 -33.24 12.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.841 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 27.0 ttt180 -66.74 -22.88 66.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 110.366 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.71 -46.0 84.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.706 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -93.55 9.03 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.808 0.814 . . . . 0.0 110.26 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -131.61 28.34 4.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.378 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 16' ' ' LYS . 13.5 mmmt -62.4 -23.87 67.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.09 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -80.89 -36.88 30.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.08 -48.81 22.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.7 m . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.95 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.7 t30 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -61.2 -23.13 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.477 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.9 mmt180 -63.26 -23.61 67.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.44 -32.5 71.43 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.112 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -71.32 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.62 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -95.5 -8.2 35.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.342 0.592 . . . . 0.0 109.433 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -113.5 108.53 51.97 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.677 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.74 -32.26 16.44 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.383 2.722 . . . . 0.0 113.502 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.99 75.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.766 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.9 -34.66 15.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.921 0.391 . . . . 0.0 110.534 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.28 -26.03 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.157 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -59.86 -40.29 88.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.83 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -90.21 -25.95 20.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.729 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -106.3 32.75 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.265 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -67.0 -19.97 65.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.6 -24.94 36.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.6 -43.37 10.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.944 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.712 -179.793 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.2 t80 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.475 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.3 t30 -91.78 97.33 10.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -61.5 -22.35 65.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.184 0.516 . . . . 0.0 111.082 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.475 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.9 mtt180 -63.18 -22.94 67.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.964 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.46 -32.44 71.39 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.136 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.629 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 4.0 m -70.87 -13.48 62.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 mt -95.49 -12.78 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.513 0.673 . . . . 0.0 109.456 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.76 109.05 59.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.755 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.81 -36.13 14.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.558 2.839 . . . . 0.0 113.848 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.13 80.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.77 -33.02 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 0.0 110.529 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.629 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.6 ttp180 -65.9 -30.56 71.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.316 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -64.11 -35.16 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.711 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -89.12 -26.82 21.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.772 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -110.77 36.67 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.067 0.461 . . . . 0.0 110.936 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.1 tptp -65.74 -22.98 66.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.075 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -75.24 -35.15 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -78.63 -44.75 23.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -90.78 81.07 5.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.22 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.6 t80 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.474 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.2 t30 -89.92 94.53 9.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -60.83 -23.56 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.337 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.536 ' HD2' HD13 ' A' ' 7' ' ' LEU . 11.0 mmm180 -62.39 -24.36 67.34 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.175 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.46 -12.61 60.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.536 HD13 ' HD2' ' A' ' 4' ' ' ARG . 95.6 mt -100.44 -0.47 37.98 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.353 0.596 . . . . 0.0 109.514 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.51 107.17 36.85 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.16 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -44.35 -33.93 6.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.815 3.01 . . . . 0.0 114.344 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.42 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.14 -30.24 17.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 0.0 110.753 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -64.87 -34.22 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.422 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -66.1 -30.15 70.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.847 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -88.57 -27.81 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.249 0.547 . . . . 0.0 110.546 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -112.23 35.3 3.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.071 0.462 . . . . 0.0 110.474 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 13.5 tptp -65.55 -21.26 66.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -78.59 -27.71 45.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.1 -41.74 12.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.413 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.8 m -90.33 83.65 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.255 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.4 t30 -89.37 93.08 9.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.802 0.334 . . . . 0.0 110.355 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.9 -20.65 63.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.456 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.2 mtp180 -62.77 -25.65 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.757 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.48 -31.74 70.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.234 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -71.31 -14.19 62.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.2 -7.71 38.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.462 0.649 . . . . 0.0 109.457 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -115.09 110.21 46.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.668 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.46 -29.73 14.26 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 123.436 2.757 . . . . 0.0 113.602 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.916 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.69 -28.83 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.301 . . . . 0.0 111.437 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -61.3 -37.94 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -66.79 -26.1 66.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.423 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -89.44 -27.8 20.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.235 0.54 . . . . 0.0 110.761 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -114.44 36.35 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.494 . . . . 0.0 110.34 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.2 tptp -63.48 -20.93 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -77.56 -27.37 51.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.955 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -87.88 -42.33 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 m -91.03 81.76 5.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.557 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.6 t80 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 46.3 t30 -89.97 93.44 9.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.779 0.323 . . . . 0.0 110.133 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -61.35 -22.6 65.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.234 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtt180 -63.27 -24.74 68.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.63 -31.18 71.25 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.128 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.476 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 5.0 m -71.53 -13.81 61.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.4 mt -97.86 -2.13 41.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.403 0.621 . . . . 0.0 109.679 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.6 mt -119.14 111.34 37.01 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.114 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.24 -12.86 6.06 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.541 2.827 . . . . 0.0 113.735 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.51 -34.15 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.982 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.19 -32.96 13.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.949 0.404 . . . . 0.0 110.467 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.3 ttt180 -68.03 -22.07 64.99 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 110.142 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -64.18 -37.17 86.51 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.393 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -90.71 -26.1 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -108.28 31.43 5.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.5 -15.21 63.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -78.71 -23.55 45.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.819 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -97.1 -43.34 7.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.28 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.1 m -91.89 59.27 3.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.914 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.407 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 40.0 t-20 -89.45 105.24 17.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -61.29 -21.64 64.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.839 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.478 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.4 mmt180 -63.03 -27.01 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.54 -30.11 71.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.097 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 3.3 m -72.18 -15.4 61.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -99.77 0.15 41.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.504 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.7 mt -120.83 107.89 37.59 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.88 -19.57 11.4 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 123.376 2.717 . . . . 0.0 113.501 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.05 -35.17 32.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.326 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -92.89 -35.68 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.83 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 18.7 ttt180 -67.38 -19.94 65.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.076 0.465 . . . . 0.0 110.616 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.86 -39.97 91.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.367 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -96.31 -22.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.486 0.66 . . . . 0.0 110.025 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -101.52 29.76 4.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -67.72 -20.52 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.473 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -77.88 -40.48 39.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.038 0.447 . . . . 0.0 110.278 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -72.36 -49.06 36.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.39 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.82 61.1 4.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.09 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.402 -0.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -92.24 65.06 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.094 0.473 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -61.49 -21.0 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -60.93 -23.21 65.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.122 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.76 -33.58 70.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.572 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -73.25 -7.16 50.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.213 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 66.5 mt -96.86 -10.48 26.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 mt -114.14 109.07 49.67 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -42.56 -36.7 4.9 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.879 3.053 . . . . 0.0 114.282 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.21 83.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.04 -24.11 21.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.526 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -64.75 -33.34 75.73 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.967 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.85 -32.51 72.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.915 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -89.21 -27.41 20.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -104.26 26.54 8.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 0.0 110.584 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 12.6 tptp -70.57 -21.65 62.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.936 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 7.2 tptp -75.18 -47.21 29.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.94 -50.79 61.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.142 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -91.42 85.97 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.783 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.186 -0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -91.78 92.59 8.46 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -60.21 -20.97 61.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.463 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -62.65 -25.06 67.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.913 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 m -61.31 -30.22 70.36 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.407 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.8 m -70.79 -15.84 62.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.28 -4.37 38.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.461 0.648 . . . . 0.0 109.411 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mt -120.75 105.52 40.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.269 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -46.14 -35.2 14.59 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.636 2.89 . . . . 0.0 113.681 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.34 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.75 -35.36 15.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.592 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 36.6 ttt180 -66.77 -27.34 67.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.93 -40.61 66.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -103.29 11.74 36.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.597 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.63 24.66 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.717 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.29 -26.5 68.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.639 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -71.57 -25.68 62.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.43 -47.03 7.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.216 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.8 m -93.0 60.56 3.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.295 -178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.322 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.8 t80 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.507 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.4 t30 -91.07 98.02 11.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.22 -23.38 65.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.113 0.482 . . . . 0.0 111.25 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.622 ' HD3' HD13 ' A' ' 7' ' ' LEU . 14.9 mmt180 -62.75 -23.65 67.3 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.3 -32.93 71.68 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.204 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.654 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -71.79 -12.97 61.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.76 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.622 HD13 ' HD3' ' A' ' 4' ' ' ARG . 92.6 mt -98.72 -8.44 26.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.478 0.656 . . . . 0.0 109.548 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.27 108.46 54.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.427 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.94 -36.84 11.62 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.676 2.917 . . . . 0.0 114.017 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.05 82.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.81 -32.41 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.71 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.654 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.9 ttp180 -66.16 -31.86 72.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.675 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 13' ' ' ARG . 5.4 mmm180 -65.06 -32.78 74.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.156 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.65 -27.77 19.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.171 0.51 . . . . 0.0 110.723 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -111.21 33.52 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -66.58 -21.31 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -72.14 -35.42 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.12 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.2 -42.72 18.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.41 83.27 5.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.149 0.5 . . . . 0.0 110.391 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.161 -0.472 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 53.0 t30 -89.86 91.95 8.82 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -60.33 -22.08 62.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.256 0.55 . . . . 0.0 111.149 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.437 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 15.5 mtp180 -62.46 -24.33 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 m -60.05 -32.84 71.3 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.168 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.639 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -70.61 -14.07 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.74 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.4 mt -95.22 -13.55 24.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.511 0.672 . . . . 0.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -109.24 108.4 60.25 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.789 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.33 -35.82 12.08 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.643 2.895 . . . . 0.0 113.919 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.35 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.89 -31.74 17.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.639 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.7 ttp180 -66.13 -30.59 71.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -65.23 -32.44 74.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.923 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -89.48 -26.96 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.227 0.537 . . . . 0.0 110.724 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -112.2 33.51 4.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.69 -21.74 66.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -75.05 -26.43 59.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.755 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -90.38 -42.7 10.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.968 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -90.58 85.97 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.337 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.24 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.3 t80 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 47.4 t30 -91.17 96.31 10.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -61.04 -22.04 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.476 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.4 mtt180 -63.02 -24.32 67.87 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.19 -31.7 70.39 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.293 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.538 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 5.1 m -71.0 -14.36 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 mt -100.59 -1.11 36.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 0.0 109.871 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 53.1 mt -118.62 112.13 37.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.256 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 15.3 Cg_endo -57.44 -13.49 13.52 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.465 2.777 . . . . 0.0 113.229 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.84 -31.33 22.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.987 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.96 -37.7 9.28 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.0 ttt180 -67.12 -18.39 65.28 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.253 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -53.72 -48.56 69.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.641 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -97.18 -15.89 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.269 0.557 . . . . 0.0 110.528 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -101.86 22.14 13.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.001 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -65.93 -22.68 66.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.657 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -68.16 -46.72 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.57 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -74.58 -43.62 54.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.309 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m -91.43 56.7 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.324 -0.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.462 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.6 t30 -93.12 96.74 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.785 0.326 . . . . 0.0 110.224 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -61.12 -23.81 65.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.462 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 5.8 mmm180 -62.38 -24.03 67.15 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.356 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.6 m -61.09 -31.42 71.1 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.299 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 3.9 m -71.52 -16.28 62.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.57 4.64 43.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.434 0.635 . . . . 0.0 109.418 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.17 103.64 23.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.145 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -44.08 -35.89 8.05 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.805 3.003 . . . . 0.0 113.987 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.02 88.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -90.32 -32.04 16.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.766 0.317 . . . . 0.0 111.058 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 28.6 ttt180 -66.16 -28.72 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 69.8 mtt180 -61.61 -34.11 75.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.683 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -90.16 -27.24 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -108.46 35.89 3.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.166 0.508 . . . . 0.0 111.146 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 19.2 ptpt -70.88 -7.54 46.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -81.8 -24.94 35.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -101.29 -42.15 6.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.906 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.2 m -92.79 52.01 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.916 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.44 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.0 t80 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -117.89 116.09 26.24 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -60.67 -21.4 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.518 ' HD3' HD11 ' A' ' 7' ' ' LEU . 15.9 mmt180 -61.92 -25.11 67.38 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.982 0.42 . . . . 0.0 111.293 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.17 -30.58 70.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.531 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.457 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 4.7 m -71.75 -15.16 62.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.518 HD11 ' HD3' ' A' ' 4' ' ' ARG . 75.9 mt -100.39 -0.62 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.428 0.632 . . . . 0.0 109.368 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.4 mt -120.37 105.27 41.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.519 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 86.7 Cg_exo -47.62 -30.99 13.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.472 2.781 . . . . 0.0 113.684 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.41 -37.43 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.86 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -89.69 -34.63 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.676 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 30.9 ttt180 -68.7 -23.23 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.354 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 10.5 tpt180 -55.85 -43.43 77.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.921 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -91.03 -21.23 21.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.39 0.614 . . . . 0.0 110.621 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -104.97 39.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.804 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -68.12 -25.55 65.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.437 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 15.2 mmtt -80.24 -25.38 39.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -84.11 -50.09 8.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.247 0.546 . . . . 0.0 109.961 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.4 m -93.34 58.94 2.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.226 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.482 -0.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 p90 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.495 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 33.1 t-20 -89.38 99.68 12.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -60.25 -23.17 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.495 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 39.6 mtp180 -63.48 -26.59 68.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.065 0.459 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.0 m -62.72 -30.79 71.68 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.99 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.0 m -72.26 -14.97 61.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.4 -9.24 36.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 0.0 109.496 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.7 mt -116.32 107.09 47.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.11 -33.98 12.45 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.524 2.816 . . . . 0.0 113.589 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.66 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t -89.82 -31.67 17.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -65.44 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.174 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -61.44 -33.47 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.938 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -91.02 -27.47 18.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -110.21 36.6 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.104 0.478 . . . . 0.0 111.115 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -67.96 -15.8 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.198 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -84.42 -23.25 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -91.56 -43.79 9.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.017 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.75 65.02 4.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.714 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.456 -0.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.5 t80 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.454 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.2 t30 -93.57 90.81 6.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.831 0.348 . . . . 0.0 110.179 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -61.54 -23.6 66.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.046 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.454 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 16.9 mmt180 -62.26 -23.41 66.67 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.388 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.85 -33.8 72.28 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.114 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.643 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 33.6 m -73.96 -9.98 59.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.771 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.98 -7.62 32.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.9 mt -112.83 112.47 50.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.737 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.37 -23.29 9.98 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.409 2.739 . . . . 0.0 113.894 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.51 -34.43 27.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -95.3 -24.93 16.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.944 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.643 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 36.0 ttp180 -64.17 -29.77 70.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.5 -35.55 72.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.501 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.22 -24.6 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.336 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -111.88 26.23 10.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.059 0.456 . . . . 0.0 111.32 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -74.3 -9.36 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.436 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.32 -43.62 32.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.799 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -77.22 -47.07 21.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.243 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.9 m -92.32 84.99 5.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -107.93 112.25 24.76 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -61.18 -18.78 59.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.616 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -62.4 -24.2 67.26 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.993 0.425 . . . . 0.0 111.281 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.85 -31.01 70.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.361 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -71.02 -16.43 62.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.756 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.27 -2.45 45.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.474 0.654 . . . . 0.0 109.47 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -119.95 106.07 41.86 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -47.0 -34.08 15.95 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.497 2.798 . . . . 0.0 113.511 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.73 86.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.858 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.19 -39.53 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.746 0.308 . . . . 0.0 110.867 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -25.62 68.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.039 0.447 . . . . 0.0 110.344 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HE ' ' HB3' ' A' ' 13' ' ' ARG . 5.7 ttp180 -58.87 -35.89 73.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.069 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -96.82 -23.1 16.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.609 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -106.86 41.37 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.408 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.21 -37.37 87.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.03 -39.86 87.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.377 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.61 -50.71 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.296 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 m -92.9 67.08 4.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.857 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.363 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.441 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.9 t-20 -90.83 81.27 5.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.966 0.412 . . . . 0.0 110.134 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -62.51 -21.64 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.091 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.621 ' HD3' HD13 ' A' ' 7' ' ' LEU . 17.3 mmt180 -63.27 -27.27 69.22 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.61 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.65 -32.02 72.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.921 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.593 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.7 m -71.99 -14.16 61.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.686 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD13 ' HD3' ' A' ' 4' ' ' ARG . 89.7 mt -96.7 -7.62 33.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.39 0.614 . . . . 0.0 109.577 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.81 111.05 48.72 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.694 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.09 -30.29 24.6 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.311 2.674 . . . . 0.0 113.392 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.87 68.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.37 -36.42 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.651 0.263 . . . . 0.0 110.927 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.593 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 42.9 ttp180 -60.76 -34.21 74.11 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 121.107 0.48 . . . . 0.0 110.326 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -57.84 -35.43 70.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.145 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.56 -25.52 21.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -108.44 37.7 2.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.062 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -65.64 -22.42 66.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.451 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -78.94 -34.48 44.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.16 0.505 . . . . 0.0 110.82 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -81.84 -45.44 15.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.6 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.9 m -92.08 61.29 3.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.669 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.408 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.503 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 43.2 t-20 -135.51 100.42 4.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -59.53 -24.53 63.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.865 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.503 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 20.6 mmt180 -63.43 -30.62 71.72 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.229 0.537 . . . . 0.0 110.625 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.8 m -64.78 -29.53 70.5 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.771 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 3.4 m -73.3 -14.78 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.396 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.489 HD12 ' HD3' ' A' ' 4' ' ' ARG . 64.3 mt -97.87 -3.47 38.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.446 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.473 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 48.0 mm -120.53 106.54 39.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 6.9 Cg_endo -48.8 -31.61 20.07 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.394 2.729 . . . . 0.0 113.387 -178.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.45 80.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.583 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.48 -34.52 15.55 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.544 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 25.6 ttt180 -68.39 -25.82 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.831 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -56.84 -43.78 81.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.651 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -97.36 8.69 44.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.652 0.739 . . . . 0.0 110.284 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -131.44 27.85 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.669 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -69.16 -8.1 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.235 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -87.12 -40.99 14.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.49 -46.58 26.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 4.0 m -91.93 63.26 4.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.988 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 t80 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.04 82.31 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 110.182 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -60.79 -19.71 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.968 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -60.68 -26.75 67.34 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.984 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.57 -33.53 71.56 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.9 m -73.91 -11.65 60.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.902 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.1 -9.71 35.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mm -111.24 112.7 54.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.699 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 -12.78 2.94 Favored 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.577 2.851 . . . . 0.0 113.974 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.63 -34.92 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -96.26 -22.69 17.09 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 111.132 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.49 -27.93 69.48 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.703 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -57.76 -38.09 74.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.664 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -88.96 -19.57 25.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.069 0.461 . . . . 0.0 111.58 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.19 27.06 9.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.0 110.946 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -74.16 -17.11 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.662 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 16.5 mmtt -79.68 -26.0 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.761 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -89.95 -47.66 7.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.0 m -92.93 68.86 4.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.733 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.405 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.8 t80 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.466 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.0 t30 -89.8 94.25 9.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.18 -22.76 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.388 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.466 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtp180 -62.85 -24.46 67.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.026 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.34 -30.68 70.66 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.304 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 7.2 m -71.37 -14.22 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.819 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.94 -0.7 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.406 0.622 . . . . 0.0 109.58 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 mt -120.98 110.41 34.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.987 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.04 -13.83 7.29 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 123.559 2.839 . . . . 0.0 113.609 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.49 -33.68 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.055 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -95.3 -33.24 12.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.841 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 27.0 ttt180 -66.74 -22.88 66.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 110.366 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.71 -46.0 84.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.706 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -93.55 9.03 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.808 0.814 . . . . 0.0 110.26 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -131.61 28.34 4.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.378 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 16' ' ' LYS . 13.5 mmmt -62.4 -23.87 67.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.09 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -80.89 -36.88 30.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.08 -48.81 22.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.7 m -93.23 57.24 2.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.95 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.441 -0.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.7 t30 -89.59 95.07 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -61.2 -23.13 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.477 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.9 mmt180 -63.26 -23.61 67.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.44 -32.5 71.43 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.112 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -71.32 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.62 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -95.5 -8.2 35.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.342 0.592 . . . . 0.0 109.433 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -113.5 108.53 51.97 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.677 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.74 -32.26 16.44 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.383 2.722 . . . . 0.0 113.502 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.99 75.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.766 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.9 -34.66 15.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.921 0.391 . . . . 0.0 110.534 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.28 -26.03 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.157 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -59.86 -40.29 88.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.83 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -90.21 -25.95 20.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.729 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -106.3 32.75 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.265 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -67.0 -19.97 65.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.6 -24.94 36.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.6 -43.37 10.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.944 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.77 63.1 4.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.712 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.423 -0.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.483 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.3 t30 . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -61.5 -22.35 65.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.184 0.516 . . . . 0.0 111.082 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.483 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.9 mtt180 -63.18 -22.94 67.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.964 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.46 -32.44 71.39 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.136 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.639 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 4.0 m -70.87 -13.48 62.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 mt -95.49 -12.78 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.513 0.673 . . . . 0.0 109.456 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.76 109.05 59.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.755 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.81 -36.13 14.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.558 2.839 . . . . 0.0 113.848 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.13 80.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.77 -33.02 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 0.0 110.529 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.639 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.6 ttp180 -65.9 -30.56 71.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.316 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -64.11 -35.16 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.711 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -89.12 -26.82 21.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.772 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -110.77 36.67 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.067 0.461 . . . . 0.0 110.936 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.1 tptp -65.74 -22.98 66.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.075 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -75.24 -35.15 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -78.63 -44.75 23.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 -179.719 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.483 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.2 t30 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -60.83 -23.56 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.337 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.562 ' HD2' HD12 ' A' ' 7' ' ' LEU . 11.0 mmm180 -62.39 -24.36 67.34 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.175 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.46 -12.61 60.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.562 HD12 ' HD2' ' A' ' 4' ' ' ARG . 95.6 mt -100.44 -0.47 37.98 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.353 0.596 . . . . 0.0 109.514 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.51 107.17 36.85 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.16 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -44.35 -33.93 6.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.815 3.01 . . . . 0.0 114.344 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.42 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.14 -30.24 17.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 0.0 110.753 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -64.87 -34.22 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.422 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -66.1 -30.15 70.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.847 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -88.57 -27.81 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.249 0.547 . . . . 0.0 110.546 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -112.23 35.3 3.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.071 0.462 . . . . 0.0 110.474 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 13.5 tptp -65.55 -21.26 66.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -78.59 -27.71 45.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.1 -41.74 12.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.413 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 -179.727 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.4 t30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.802 0.334 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.9 -20.65 63.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.2 mtp180 -62.77 -25.65 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.757 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.48 -31.74 70.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.234 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -71.31 -14.19 62.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.2 -7.71 38.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.462 0.649 . . . . 0.0 109.457 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -115.09 110.21 46.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.668 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.46 -29.73 14.26 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 123.436 2.757 . . . . 0.0 113.602 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.916 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.69 -28.83 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.301 . . . . 0.0 111.437 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -61.3 -37.94 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -66.79 -26.1 66.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.423 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -89.44 -27.8 20.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.235 0.54 . . . . 0.0 110.761 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -114.44 36.35 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.494 . . . . 0.0 110.34 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.2 tptp -63.48 -20.93 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -77.56 -27.37 51.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.955 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -87.88 -42.33 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.557 -179.762 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.489 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 46.3 t30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.779 0.323 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -61.35 -22.6 65.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.234 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtt180 -63.27 -24.74 68.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.63 -31.18 71.25 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.128 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.0 m -71.53 -13.81 61.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.4 mt -97.86 -2.13 41.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.403 0.621 . . . . 0.0 109.679 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 10' ' ' ALA . 45.6 mt -119.14 111.34 37.01 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.114 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.24 -12.86 6.06 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.541 2.827 . . . . 0.0 113.735 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -89.51 -34.15 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.982 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.19 -32.96 13.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.949 0.404 . . . . 0.0 110.467 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.3 ttt180 -68.03 -22.07 64.99 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 110.142 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -64.18 -37.17 86.51 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.393 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -90.71 -26.1 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -108.28 31.43 5.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.5 -15.21 63.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -78.71 -23.55 45.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.819 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -97.1 -43.34 7.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.28 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.1 m . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.914 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 40.0 t-20 . . . . . 0 C--O 1.234 0.289 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -61.29 -21.64 64.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.839 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.48 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.4 mmt180 -63.03 -27.01 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.54 -30.11 71.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.097 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.475 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 3.3 m -72.18 -15.4 61.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -99.77 0.15 41.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.504 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.412 HG22 ' H ' ' A' ' 10' ' ' ALA . 61.7 mt -120.83 107.89 37.59 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.929 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.88 -19.57 11.4 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 123.376 2.717 . . . . 0.0 113.501 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -81.05 -35.17 32.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.326 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -92.89 -35.68 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.83 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.475 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 18.7 ttt180 -67.38 -19.94 65.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.076 0.465 . . . . 0.0 110.616 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.86 -39.97 91.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.367 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -96.31 -22.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.486 0.66 . . . . 0.0 110.025 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -101.52 29.76 4.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -67.72 -20.52 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.473 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -77.88 -40.48 39.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.038 0.447 . . . . 0.0 110.278 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -72.36 -49.06 36.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.39 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.09 -179.088 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.094 0.473 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -61.49 -21.0 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -60.93 -23.21 65.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.122 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.76 -33.58 70.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.572 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -73.25 -7.16 50.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.213 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 66.5 mt -96.86 -10.48 26.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 mt -114.14 109.07 49.67 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -42.56 -36.7 4.9 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.879 3.053 . . . . 0.0 114.282 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.21 83.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.04 -24.11 21.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.526 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -64.75 -33.34 75.73 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.967 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.85 -32.51 72.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.915 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -89.21 -27.41 20.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -104.26 26.54 8.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 0.0 110.584 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 12.6 tptp -70.57 -21.65 62.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.936 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 7.2 tptp -75.18 -47.21 29.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.94 -50.79 61.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.142 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.783 -179.255 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 C--O 1.232 0.145 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -60.21 -20.97 61.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.463 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -62.65 -25.06 67.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.913 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 m -61.31 -30.22 70.36 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.407 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.8 m -70.79 -15.84 62.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.28 -4.37 38.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.461 0.648 . . . . 0.0 109.411 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mt -120.75 105.52 40.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.269 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -46.14 -35.2 14.59 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.636 2.89 . . . . 0.0 113.681 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.34 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.75 -35.36 15.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.592 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 36.6 ttt180 -66.77 -27.34 67.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.93 -40.61 66.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -103.29 11.74 36.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.597 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.63 24.66 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.717 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.29 -26.5 68.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.639 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -71.57 -25.68 62.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.43 -47.03 7.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.216 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.8 m . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.295 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.4 t30 . . . . . 0 C--O 1.231 0.113 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.22 -23.38 65.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.113 0.482 . . . . 0.0 111.25 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.643 ' HD3' HD12 ' A' ' 7' ' ' LEU . 14.9 mmt180 -62.75 -23.65 67.3 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.3 -32.93 71.68 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.204 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.664 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -71.79 -12.97 61.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.76 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.643 HD12 ' HD3' ' A' ' 4' ' ' ARG . 92.6 mt -98.72 -8.44 26.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.478 0.656 . . . . 0.0 109.548 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.27 108.46 54.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.427 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.94 -36.84 11.62 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.676 2.917 . . . . 0.0 114.017 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.05 82.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.81 -32.41 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.71 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.664 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.9 ttp180 -66.16 -31.86 72.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.675 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 13' ' ' ARG . 5.4 mmm180 -65.06 -32.78 74.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.156 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.65 -27.77 19.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.171 0.51 . . . . 0.0 110.723 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -111.21 33.52 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -66.58 -21.31 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -72.14 -35.42 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.12 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.2 -42.72 18.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.149 0.5 . . . . 0.0 110.391 -179.738 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.439 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 53.0 t30 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -60.33 -22.08 62.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.256 0.55 . . . . 0.0 111.149 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 4' ' ' ARG . 15.5 mtp180 -62.46 -24.33 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 m -60.05 -32.84 71.3 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.168 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.649 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -70.61 -14.07 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.74 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.4 mt -95.22 -13.55 24.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.511 0.672 . . . . 0.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -109.24 108.4 60.25 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.789 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.33 -35.82 12.08 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.643 2.895 . . . . 0.0 113.919 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.35 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.89 -31.74 17.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.649 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.7 ttp180 -66.13 -30.59 71.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -65.23 -32.44 74.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.923 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -89.48 -26.96 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.227 0.537 . . . . 0.0 110.724 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -112.2 33.51 4.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.69 -21.74 66.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -75.05 -26.43 59.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.755 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -90.38 -42.7 10.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.968 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.337 -179.76 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 47.4 t30 . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -61.04 -22.04 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.4 mtt180 -63.02 -24.32 67.87 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.19 -31.7 70.39 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.293 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.533 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 5.1 m -71.0 -14.36 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 mt -100.59 -1.11 36.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 0.0 109.871 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 10' ' ' ALA . 53.1 mt -118.62 112.13 37.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.256 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 15.3 Cg_endo -57.44 -13.49 13.52 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.465 2.777 . . . . 0.0 113.229 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -85.84 -31.33 22.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.987 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.96 -37.7 9.28 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.533 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.0 ttt180 -67.12 -18.39 65.28 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.253 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -53.72 -48.56 69.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.641 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -97.18 -15.89 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.269 0.557 . . . . 0.0 110.528 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -101.86 22.14 13.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.001 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -65.93 -22.68 66.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.657 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -68.16 -46.72 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.57 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -74.58 -43.62 54.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.309 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.47 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.6 t30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.785 0.326 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -61.12 -23.81 65.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.47 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 5.8 mmm180 -62.38 -24.03 67.15 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.356 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.6 m -61.09 -31.42 71.1 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.299 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 3.9 m -71.52 -16.28 62.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.57 4.64 43.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.434 0.635 . . . . 0.0 109.418 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.17 103.64 23.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.145 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -44.08 -35.89 8.05 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.805 3.003 . . . . 0.0 113.987 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.02 88.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -90.32 -32.04 16.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.766 0.317 . . . . 0.0 111.058 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 28.6 ttt180 -66.16 -28.72 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 69.8 mtt180 -61.61 -34.11 75.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.683 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -90.16 -27.24 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -108.46 35.89 3.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.166 0.508 . . . . 0.0 111.146 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 19.2 ptpt -70.88 -7.54 46.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -81.8 -24.94 35.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -101.29 -42.15 6.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.906 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.2 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.916 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -60.67 -21.4 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.538 ' HD3' HD12 ' A' ' 7' ' ' LEU . 15.9 mmt180 -61.92 -25.11 67.38 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.982 0.42 . . . . 0.0 111.293 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.17 -30.58 70.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.531 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 4.7 m -71.75 -15.16 62.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.538 HD12 ' HD3' ' A' ' 4' ' ' ARG . 75.9 mt -100.39 -0.62 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.428 0.632 . . . . 0.0 109.368 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.4 mt -120.37 105.27 41.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.519 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 86.7 Cg_exo -47.62 -30.99 13.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.472 2.781 . . . . 0.0 113.684 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.41 -37.43 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.86 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -89.69 -34.63 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.676 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 30.9 ttt180 -68.7 -23.23 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.354 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 10.5 tpt180 -55.85 -43.43 77.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.921 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -91.03 -21.23 21.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.39 0.614 . . . . 0.0 110.621 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -104.97 39.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.804 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -68.12 -25.55 65.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.437 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 15.2 mmtt -80.24 -25.38 39.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -84.11 -50.09 8.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.247 0.546 . . . . 0.0 109.961 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.4 m . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.226 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 33.1 t-20 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -60.25 -23.17 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 39.6 mtp180 -63.48 -26.59 68.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.065 0.459 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.0 m -62.72 -30.79 71.68 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.99 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.0 m -72.26 -14.97 61.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.4 -9.24 36.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 0.0 109.496 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.7 mt -116.32 107.09 47.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.11 -33.98 12.45 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.524 2.816 . . . . 0.0 113.589 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.66 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t -89.82 -31.67 17.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -65.44 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.174 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -61.44 -33.47 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.938 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -91.02 -27.47 18.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -110.21 36.6 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.104 0.478 . . . . 0.0 111.115 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -67.96 -15.8 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.198 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -84.42 -23.25 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -91.56 -43.79 9.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.017 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.714 -179.611 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.465 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.2 t30 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -61.54 -23.6 66.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.046 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.465 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 16.9 mmt180 -62.26 -23.41 66.67 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.388 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.85 -33.8 72.28 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.114 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.653 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 33.6 m -73.96 -9.98 59.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.771 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.98 -7.62 32.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 10' ' ' ALA . 55.9 mt -112.83 112.47 50.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.737 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.37 -23.29 9.98 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.409 2.739 . . . . 0.0 113.894 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -82.51 -34.43 27.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -95.3 -24.93 16.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.944 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.653 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 36.0 ttp180 -64.17 -29.77 70.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.5 -35.55 72.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.501 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.22 -24.6 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.336 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -111.88 26.23 10.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.059 0.456 . . . . 0.0 111.32 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -74.3 -9.36 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.436 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.32 -43.62 32.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.799 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -77.22 -47.07 21.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.243 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.495 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -61.18 -18.78 59.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.616 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -62.4 -24.2 67.26 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.993 0.425 . . . . 0.0 111.281 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.85 -31.01 70.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.361 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -71.02 -16.43 62.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.756 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.27 -2.45 45.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.474 0.654 . . . . 0.0 109.47 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -119.95 106.07 41.86 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -47.0 -34.08 15.95 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.497 2.798 . . . . 0.0 113.511 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.73 86.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.858 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.19 -39.53 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.746 0.308 . . . . 0.0 110.867 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -25.62 68.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.039 0.447 . . . . 0.0 110.344 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' A' ' 13' ' ' ARG . 5.7 ttp180 -58.87 -35.89 73.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.069 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -96.82 -23.1 16.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.609 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -106.86 41.37 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.408 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.21 -37.37 87.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.03 -39.86 87.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.377 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.61 -50.71 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.296 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.857 -179.55 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.455 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.9 t-20 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.966 0.412 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -62.51 -21.64 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.091 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.645 ' HD3' HD12 ' A' ' 7' ' ' LEU . 17.3 mmt180 -63.27 -27.27 69.22 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.61 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.65 -32.02 72.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.921 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.605 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.7 m -71.99 -14.16 61.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.686 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.645 HD12 ' HD3' ' A' ' 4' ' ' ARG . 89.7 mt -96.7 -7.62 33.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.39 0.614 . . . . 0.0 109.577 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.81 111.05 48.72 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.694 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.09 -30.29 24.6 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.311 2.674 . . . . 0.0 113.392 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.87 68.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.37 -36.42 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.651 0.263 . . . . 0.0 110.927 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.605 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 42.9 ttp180 -60.76 -34.21 74.11 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 121.107 0.48 . . . . 0.0 110.326 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -57.84 -35.43 70.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.145 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.56 -25.52 21.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -108.44 37.7 2.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.062 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -65.64 -22.42 66.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.451 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -78.94 -34.48 44.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.16 0.505 . . . . 0.0 110.82 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -81.84 -45.44 15.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.6 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.669 -179.54 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.504 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 43.2 t-20 . . . . . 0 CA--C 1.52 -0.185 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -59.53 -24.53 63.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.865 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.514 ' HD3' HD12 ' A' ' 7' ' ' LEU . 20.6 mmt180 -63.43 -30.62 71.72 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.229 0.537 . . . . 0.0 110.625 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.8 m -64.78 -29.53 70.5 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.771 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 3.4 m -73.3 -14.78 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.396 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 4' ' ' ARG . 64.3 mt -97.87 -3.47 38.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.446 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.477 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 48.0 mm -120.53 106.54 39.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 6.9 Cg_endo -48.8 -31.61 20.07 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.394 2.729 . . . . 0.0 113.387 -178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.45 80.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.583 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.48 -34.52 15.55 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.544 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 25.6 ttt180 -68.39 -25.82 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.831 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -56.84 -43.78 81.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.651 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -97.36 8.69 44.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.652 0.739 . . . . 0.0 110.284 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -131.44 27.85 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.669 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -69.16 -8.1 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.235 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -87.12 -40.99 14.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.49 -46.58 26.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.988 -179.276 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.849 0.357 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -60.79 -19.71 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.968 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -60.68 -26.75 67.34 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.984 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.57 -33.53 71.56 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.9 m -73.91 -11.65 60.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.902 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.1 -9.71 35.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 10' ' ' ALA . 42.0 mm -111.24 112.7 54.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.699 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 -12.78 2.94 Favored 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.577 2.851 . . . . 0.0 113.974 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -90.63 -34.92 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -96.26 -22.69 17.09 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 111.132 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.49 -27.93 69.48 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.703 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -57.76 -38.09 74.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.664 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -88.96 -19.57 25.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.069 0.461 . . . . 0.0 111.58 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.19 27.06 9.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.0 110.946 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -74.16 -17.11 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.662 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -79.68 -26.0 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.761 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -89.95 -47.66 7.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.733 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.473 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.0 t30 . . . . . 0 C--O 1.232 0.177 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.18 -22.76 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.388 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.473 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtp180 -62.85 -24.46 67.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.026 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.34 -30.68 70.66 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.304 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.497 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 7.2 m -71.37 -14.22 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.819 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.94 -0.7 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.406 0.622 . . . . 0.0 109.58 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.468 HG22 ' H ' ' A' ' 10' ' ' ALA . 45.1 mt -120.98 110.41 34.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.987 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.04 -13.83 7.29 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 123.559 2.839 . . . . 0.0 113.609 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.468 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -87.49 -33.68 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.055 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -95.3 -33.24 12.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.841 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 27.0 ttt180 -66.74 -22.88 66.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 110.366 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.71 -46.0 84.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.706 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -93.55 9.03 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.808 0.814 . . . . 0.0 110.26 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -131.61 28.34 4.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.378 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 16' ' ' LYS . 13.5 mmmt -62.4 -23.87 67.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.09 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -80.89 -36.88 30.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.08 -48.81 22.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.7 m . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.95 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.7 t30 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -61.2 -23.13 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.9 mmt180 -63.26 -23.61 67.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.44 -32.5 71.43 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.112 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -71.32 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.62 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -95.5 -8.2 35.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.342 0.592 . . . . 0.0 109.433 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -113.5 108.53 51.97 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.677 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.74 -32.26 16.44 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.383 2.722 . . . . 0.0 113.502 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.99 75.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.766 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.9 -34.66 15.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.921 0.391 . . . . 0.0 110.534 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.28 -26.03 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.157 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -59.86 -40.29 88.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.83 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -90.21 -25.95 20.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.729 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -106.3 32.75 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.265 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -67.0 -19.97 65.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.6 -24.94 36.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.6 -43.37 10.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.944 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.712 -179.793 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.2 t80 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.483 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.3 t30 -91.78 97.33 10.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -61.5 -22.35 65.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.184 0.516 . . . . 0.0 111.082 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.9 mtt180 -63.18 -22.94 67.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.964 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.46 -32.44 71.39 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.136 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.639 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 4.0 m -70.87 -13.48 62.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 mt -95.49 -12.78 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.513 0.673 . . . . 0.0 109.456 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.76 109.05 59.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.755 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.81 -36.13 14.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.558 2.839 . . . . 0.0 113.848 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.13 80.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.77 -33.02 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 0.0 110.529 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.639 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.6 ttp180 -65.9 -30.56 71.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.316 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -64.11 -35.16 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.711 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -89.12 -26.82 21.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.772 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -110.77 36.67 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.067 0.461 . . . . 0.0 110.936 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.1 tptp -65.74 -22.98 66.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.075 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -75.24 -35.15 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -78.63 -44.75 23.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -90.78 81.07 5.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.22 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.6 t80 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.483 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.2 t30 -89.92 94.53 9.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -60.83 -23.56 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.337 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.562 ' HD2' HD12 ' A' ' 7' ' ' LEU . 11.0 mmm180 -62.39 -24.36 67.34 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.175 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.46 -12.61 60.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.562 HD12 ' HD2' ' A' ' 4' ' ' ARG . 95.6 mt -100.44 -0.47 37.98 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.353 0.596 . . . . 0.0 109.514 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.51 107.17 36.85 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.16 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -44.35 -33.93 6.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.815 3.01 . . . . 0.0 114.344 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.42 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.14 -30.24 17.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 0.0 110.753 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -64.87 -34.22 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.422 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -66.1 -30.15 70.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.847 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -88.57 -27.81 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.249 0.547 . . . . 0.0 110.546 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -112.23 35.3 3.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.071 0.462 . . . . 0.0 110.474 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 13.5 tptp -65.55 -21.26 66.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -78.59 -27.71 45.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.1 -41.74 12.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.413 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.8 m -90.33 83.65 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.255 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.4 t30 -89.37 93.08 9.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.802 0.334 . . . . 0.0 110.355 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.9 -20.65 63.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.2 mtp180 -62.77 -25.65 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.757 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.48 -31.74 70.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.234 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -71.31 -14.19 62.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.2 -7.71 38.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.462 0.649 . . . . 0.0 109.457 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -115.09 110.21 46.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.668 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.46 -29.73 14.26 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 123.436 2.757 . . . . 0.0 113.602 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.916 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.69 -28.83 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.301 . . . . 0.0 111.437 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -61.3 -37.94 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -66.79 -26.1 66.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.423 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -89.44 -27.8 20.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.235 0.54 . . . . 0.0 110.761 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -114.44 36.35 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.494 . . . . 0.0 110.34 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.2 tptp -63.48 -20.93 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -77.56 -27.37 51.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.955 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -87.88 -42.33 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 m -91.03 81.76 5.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.557 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.6 t80 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 46.3 t30 -89.97 93.44 9.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.779 0.323 . . . . 0.0 110.133 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -61.35 -22.6 65.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.234 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtt180 -63.27 -24.74 68.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.63 -31.18 71.25 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.128 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.0 m -71.53 -13.81 61.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.4 mt -97.86 -2.13 41.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.403 0.621 . . . . 0.0 109.679 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 10' ' ' ALA . 45.6 mt -119.14 111.34 37.01 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.114 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.24 -12.86 6.06 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.541 2.827 . . . . 0.0 113.735 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -89.51 -34.15 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.982 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.19 -32.96 13.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.949 0.404 . . . . 0.0 110.467 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.3 ttt180 -68.03 -22.07 64.99 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 110.142 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -64.18 -37.17 86.51 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.393 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -90.71 -26.1 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -108.28 31.43 5.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.5 -15.21 63.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -78.71 -23.55 45.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.819 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -97.1 -43.34 7.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.28 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.1 m -91.89 59.27 3.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.914 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.407 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 40.0 t-20 -89.45 105.24 17.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -61.29 -21.64 64.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.839 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.48 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.4 mmt180 -63.03 -27.01 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.54 -30.11 71.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.097 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.475 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 3.3 m -72.18 -15.4 61.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -99.77 0.15 41.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.504 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.412 HG22 ' H ' ' A' ' 10' ' ' ALA . 61.7 mt -120.83 107.89 37.59 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.929 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.88 -19.57 11.4 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 123.376 2.717 . . . . 0.0 113.501 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -81.05 -35.17 32.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.326 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -92.89 -35.68 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.83 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 18.7 ttt180 -67.38 -19.94 65.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.076 0.465 . . . . 0.0 110.616 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.86 -39.97 91.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.367 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -96.31 -22.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.486 0.66 . . . . 0.0 110.025 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -101.52 29.76 4.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -67.72 -20.52 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.473 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -77.88 -40.48 39.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.038 0.447 . . . . 0.0 110.278 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -72.36 -49.06 36.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.39 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.82 61.1 4.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.09 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.402 -0.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -92.24 65.06 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.094 0.473 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -61.49 -21.0 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -60.93 -23.21 65.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.122 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.76 -33.58 70.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.572 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -73.25 -7.16 50.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.213 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 66.5 mt -96.86 -10.48 26.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 mt -114.14 109.07 49.67 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -42.56 -36.7 4.9 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.879 3.053 . . . . 0.0 114.282 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.21 83.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.04 -24.11 21.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.526 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -64.75 -33.34 75.73 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.967 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.85 -32.51 72.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.915 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -89.21 -27.41 20.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -104.26 26.54 8.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 0.0 110.584 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 12.6 tptp -70.57 -21.65 62.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.936 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 7.2 tptp -75.18 -47.21 29.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.94 -50.79 61.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.142 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -91.42 85.97 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.783 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.186 -0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -91.78 92.59 8.46 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -60.21 -20.97 61.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.463 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -62.65 -25.06 67.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.913 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 m -61.31 -30.22 70.36 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.407 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.8 m -70.79 -15.84 62.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.28 -4.37 38.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.461 0.648 . . . . 0.0 109.411 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mt -120.75 105.52 40.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.269 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -46.14 -35.2 14.59 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.636 2.89 . . . . 0.0 113.681 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.34 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.75 -35.36 15.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.592 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 36.6 ttt180 -66.77 -27.34 67.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.93 -40.61 66.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -103.29 11.74 36.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.597 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.63 24.66 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.717 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.29 -26.5 68.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.639 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -71.57 -25.68 62.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.43 -47.03 7.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.216 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.8 m -93.0 60.56 3.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.295 -178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.322 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.8 t80 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.4 t30 -91.07 98.02 11.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.22 -23.38 65.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.113 0.482 . . . . 0.0 111.25 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.643 ' HD3' HD12 ' A' ' 7' ' ' LEU . 14.9 mmt180 -62.75 -23.65 67.3 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.3 -32.93 71.68 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.204 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.664 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -71.79 -12.97 61.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.76 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.643 HD12 ' HD3' ' A' ' 4' ' ' ARG . 92.6 mt -98.72 -8.44 26.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.478 0.656 . . . . 0.0 109.548 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.27 108.46 54.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.427 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.94 -36.84 11.62 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.676 2.917 . . . . 0.0 114.017 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.05 82.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.81 -32.41 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.71 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.664 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.9 ttp180 -66.16 -31.86 72.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.675 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 13' ' ' ARG . 5.4 mmm180 -65.06 -32.78 74.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.156 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.65 -27.77 19.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.171 0.51 . . . . 0.0 110.723 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -111.21 33.52 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -66.58 -21.31 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -72.14 -35.42 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.12 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.2 -42.72 18.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.41 83.27 5.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.149 0.5 . . . . 0.0 110.391 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.161 -0.472 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.439 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 53.0 t30 -89.86 91.95 8.82 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -60.33 -22.08 62.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.256 0.55 . . . . 0.0 111.149 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 4' ' ' ARG . 15.5 mtp180 -62.46 -24.33 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 m -60.05 -32.84 71.3 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.168 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.649 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -70.61 -14.07 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.74 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.4 mt -95.22 -13.55 24.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.511 0.672 . . . . 0.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -109.24 108.4 60.25 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.789 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.33 -35.82 12.08 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.643 2.895 . . . . 0.0 113.919 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.35 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.89 -31.74 17.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.649 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.7 ttp180 -66.13 -30.59 71.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -65.23 -32.44 74.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.923 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -89.48 -26.96 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.227 0.537 . . . . 0.0 110.724 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -112.2 33.51 4.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.69 -21.74 66.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -75.05 -26.43 59.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.755 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -90.38 -42.7 10.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.968 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -90.58 85.97 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.337 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.24 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.3 t80 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 47.4 t30 -91.17 96.31 10.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -61.04 -22.04 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.4 mtt180 -63.02 -24.32 67.87 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.19 -31.7 70.39 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.293 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.533 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 5.1 m -71.0 -14.36 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 mt -100.59 -1.11 36.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 0.0 109.871 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 10' ' ' ALA . 53.1 mt -118.62 112.13 37.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.256 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 15.3 Cg_endo -57.44 -13.49 13.52 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.465 2.777 . . . . 0.0 113.229 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -85.84 -31.33 22.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.987 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.96 -37.7 9.28 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.533 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.0 ttt180 -67.12 -18.39 65.28 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.253 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -53.72 -48.56 69.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.641 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -97.18 -15.89 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.269 0.557 . . . . 0.0 110.528 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -101.86 22.14 13.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.001 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -65.93 -22.68 66.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.657 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -68.16 -46.72 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.57 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -74.58 -43.62 54.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.309 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m -91.43 56.7 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.324 -0.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.47 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.6 t30 -93.12 96.74 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.785 0.326 . . . . 0.0 110.224 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -61.12 -23.81 65.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.47 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 5.8 mmm180 -62.38 -24.03 67.15 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.356 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.6 m -61.09 -31.42 71.1 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.299 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 3.9 m -71.52 -16.28 62.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.57 4.64 43.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.434 0.635 . . . . 0.0 109.418 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.17 103.64 23.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.145 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -44.08 -35.89 8.05 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.805 3.003 . . . . 0.0 113.987 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.02 88.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -90.32 -32.04 16.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.766 0.317 . . . . 0.0 111.058 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 28.6 ttt180 -66.16 -28.72 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 69.8 mtt180 -61.61 -34.11 75.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.683 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -90.16 -27.24 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -108.46 35.89 3.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.166 0.508 . . . . 0.0 111.146 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 19.2 ptpt -70.88 -7.54 46.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -81.8 -24.94 35.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -101.29 -42.15 6.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.906 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.2 m -92.79 52.01 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.916 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.44 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.0 t80 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -117.89 116.09 26.24 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -60.67 -21.4 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.538 ' HD3' HD12 ' A' ' 7' ' ' LEU . 15.9 mmt180 -61.92 -25.11 67.38 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.982 0.42 . . . . 0.0 111.293 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.17 -30.58 70.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.531 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 4.7 m -71.75 -15.16 62.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.538 HD12 ' HD3' ' A' ' 4' ' ' ARG . 75.9 mt -100.39 -0.62 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.428 0.632 . . . . 0.0 109.368 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.4 mt -120.37 105.27 41.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.519 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 86.7 Cg_exo -47.62 -30.99 13.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.472 2.781 . . . . 0.0 113.684 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.41 -37.43 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.86 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -89.69 -34.63 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.676 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 30.9 ttt180 -68.7 -23.23 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.354 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 10.5 tpt180 -55.85 -43.43 77.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.921 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -91.03 -21.23 21.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.39 0.614 . . . . 0.0 110.621 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -104.97 39.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.804 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -68.12 -25.55 65.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.437 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 15.2 mmtt -80.24 -25.38 39.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -84.11 -50.09 8.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.247 0.546 . . . . 0.0 109.961 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.4 m -93.34 58.94 2.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.226 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.482 -0.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 p90 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 33.1 t-20 -89.38 99.68 12.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -60.25 -23.17 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 39.6 mtp180 -63.48 -26.59 68.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.065 0.459 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.0 m -62.72 -30.79 71.68 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.99 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.0 m -72.26 -14.97 61.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.4 -9.24 36.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 0.0 109.496 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.7 mt -116.32 107.09 47.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.11 -33.98 12.45 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.524 2.816 . . . . 0.0 113.589 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.66 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t -89.82 -31.67 17.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -65.44 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.174 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -61.44 -33.47 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.938 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -91.02 -27.47 18.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -110.21 36.6 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.104 0.478 . . . . 0.0 111.115 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -67.96 -15.8 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.198 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -84.42 -23.25 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -91.56 -43.79 9.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.017 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.75 65.02 4.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.714 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.456 -0.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.5 t80 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.465 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.2 t30 -93.57 90.81 6.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.831 0.348 . . . . 0.0 110.179 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -61.54 -23.6 66.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.046 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 16.9 mmt180 -62.26 -23.41 66.67 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.388 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.85 -33.8 72.28 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.114 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.653 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 33.6 m -73.96 -9.98 59.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.771 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.98 -7.62 32.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 10' ' ' ALA . 55.9 mt -112.83 112.47 50.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.737 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.37 -23.29 9.98 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.409 2.739 . . . . 0.0 113.894 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -82.51 -34.43 27.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -95.3 -24.93 16.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.944 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.653 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 36.0 ttp180 -64.17 -29.77 70.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.5 -35.55 72.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.501 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.22 -24.6 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.336 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -111.88 26.23 10.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.059 0.456 . . . . 0.0 111.32 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -74.3 -9.36 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.436 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.32 -43.62 32.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.799 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -77.22 -47.07 21.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.243 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.9 m -92.32 84.99 5.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -107.93 112.25 24.76 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -61.18 -18.78 59.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.616 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -62.4 -24.2 67.26 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.993 0.425 . . . . 0.0 111.281 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.85 -31.01 70.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.361 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -71.02 -16.43 62.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.756 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.27 -2.45 45.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.474 0.654 . . . . 0.0 109.47 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -119.95 106.07 41.86 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -47.0 -34.08 15.95 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.497 2.798 . . . . 0.0 113.511 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.73 86.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.858 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.19 -39.53 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.746 0.308 . . . . 0.0 110.867 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -25.62 68.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.039 0.447 . . . . 0.0 110.344 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' A' ' 13' ' ' ARG . 5.7 ttp180 -58.87 -35.89 73.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.069 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -96.82 -23.1 16.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.609 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -106.86 41.37 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.408 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.21 -37.37 87.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.03 -39.86 87.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.377 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.61 -50.71 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.296 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 m -92.9 67.08 4.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.857 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.363 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.455 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.9 t-20 -90.83 81.27 5.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.966 0.412 . . . . 0.0 110.134 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -62.51 -21.64 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.091 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.645 ' HD3' HD12 ' A' ' 7' ' ' LEU . 17.3 mmt180 -63.27 -27.27 69.22 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.61 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.65 -32.02 72.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.921 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.605 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.7 m -71.99 -14.16 61.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.686 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.645 HD12 ' HD3' ' A' ' 4' ' ' ARG . 89.7 mt -96.7 -7.62 33.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.39 0.614 . . . . 0.0 109.577 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.81 111.05 48.72 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.694 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.09 -30.29 24.6 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.311 2.674 . . . . 0.0 113.392 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.87 68.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.37 -36.42 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.651 0.263 . . . . 0.0 110.927 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.605 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 42.9 ttp180 -60.76 -34.21 74.11 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 121.107 0.48 . . . . 0.0 110.326 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -57.84 -35.43 70.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.145 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.56 -25.52 21.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -108.44 37.7 2.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.062 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -65.64 -22.42 66.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.451 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -78.94 -34.48 44.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.16 0.505 . . . . 0.0 110.82 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -81.84 -45.44 15.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.6 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -92.08 61.29 3.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.669 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.408 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.504 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 43.2 t-20 -135.51 100.42 4.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -59.53 -24.53 63.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.865 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' HD3' HD12 ' A' ' 7' ' ' LEU . 20.6 mmt180 -63.43 -30.62 71.72 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.229 0.537 . . . . 0.0 110.625 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.8 m -64.78 -29.53 70.5 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.771 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 3.4 m -73.3 -14.78 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.396 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 4' ' ' ARG . 64.3 mt -97.87 -3.47 38.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.446 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 48.0 mm -120.53 106.54 39.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 6.9 Cg_endo -48.8 -31.61 20.07 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.394 2.729 . . . . 0.0 113.387 -178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.45 80.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.583 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.48 -34.52 15.55 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.544 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 25.6 ttt180 -68.39 -25.82 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.831 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -56.84 -43.78 81.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.651 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -97.36 8.69 44.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.652 0.739 . . . . 0.0 110.284 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -131.44 27.85 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.669 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -69.16 -8.1 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.235 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -87.12 -40.99 14.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.49 -46.58 26.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.93 63.26 4.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.988 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 t80 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.04 82.31 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 110.182 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -60.79 -19.71 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.968 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -60.68 -26.75 67.34 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.984 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.57 -33.53 71.56 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.9 m -73.91 -11.65 60.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.902 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.1 -9.71 35.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 10' ' ' ALA . 42.0 mm -111.24 112.7 54.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.699 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 -12.78 2.94 Favored 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.577 2.851 . . . . 0.0 113.974 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -90.63 -34.92 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -96.26 -22.69 17.09 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 111.132 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.49 -27.93 69.48 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.703 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -57.76 -38.09 74.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.664 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -88.96 -19.57 25.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.069 0.461 . . . . 0.0 111.58 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.19 27.06 9.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.0 110.946 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -74.16 -17.11 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.662 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -79.68 -26.0 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.761 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -89.95 -47.66 7.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.0 m -92.93 68.86 4.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.733 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.405 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.8 t80 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.473 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.0 t30 -89.8 94.25 9.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.18 -22.76 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.388 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.473 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtp180 -62.85 -24.46 67.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.026 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.34 -30.68 70.66 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.304 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.497 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 7.2 m -71.37 -14.22 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.819 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.94 -0.7 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.406 0.622 . . . . 0.0 109.58 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.468 HG22 ' H ' ' A' ' 10' ' ' ALA . 45.1 mt -120.98 110.41 34.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.987 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.04 -13.83 7.29 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 123.559 2.839 . . . . 0.0 113.609 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -87.49 -33.68 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.055 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -95.3 -33.24 12.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.841 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 27.0 ttt180 -66.74 -22.88 66.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 110.366 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.71 -46.0 84.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.706 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -93.55 9.03 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.808 0.814 . . . . 0.0 110.26 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -131.61 28.34 4.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.378 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 16' ' ' LYS . 13.5 mmmt -62.4 -23.87 67.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.09 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -80.89 -36.88 30.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.08 -48.81 22.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.7 m -93.23 57.24 2.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.95 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.441 -0.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.7 t30 -89.59 95.07 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -61.2 -23.13 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.9 mmt180 -63.26 -23.61 67.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.44 -32.5 71.43 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.112 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -71.32 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.62 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -95.5 -8.2 35.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.342 0.592 . . . . 0.0 109.433 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -113.5 108.53 51.97 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.677 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.74 -32.26 16.44 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.383 2.722 . . . . 0.0 113.502 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.99 75.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.766 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.9 -34.66 15.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.921 0.391 . . . . 0.0 110.534 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.28 -26.03 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.157 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -59.86 -40.29 88.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.83 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -90.21 -25.95 20.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.729 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -106.3 32.75 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.265 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -67.0 -19.97 65.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.6 -24.94 36.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.6 -43.37 10.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.944 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.77 63.1 4.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.712 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.423 -0.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.483 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.3 t30 . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -61.5 -22.35 65.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.184 0.516 . . . . 0.0 111.082 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.483 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.9 mtt180 -63.18 -22.94 67.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.964 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.46 -32.44 71.39 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.136 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.639 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 4.0 m -70.87 -13.48 62.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 mt -95.49 -12.78 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.513 0.673 . . . . 0.0 109.456 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.76 109.05 59.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.755 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.81 -36.13 14.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.558 2.839 . . . . 0.0 113.848 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.13 80.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.77 -33.02 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 0.0 110.529 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.639 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.6 ttp180 -65.9 -30.56 71.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.316 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -64.11 -35.16 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.711 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -89.12 -26.82 21.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.772 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -110.77 36.67 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.067 0.461 . . . . 0.0 110.936 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.1 tptp -65.74 -22.98 66.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.075 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -75.24 -35.15 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -78.63 -44.75 23.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 -179.719 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.483 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.2 t30 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -60.83 -23.56 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.337 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.562 ' HD2' HD12 ' A' ' 7' ' ' LEU . 11.0 mmm180 -62.39 -24.36 67.34 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.175 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.46 -12.61 60.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.562 HD12 ' HD2' ' A' ' 4' ' ' ARG . 95.6 mt -100.44 -0.47 37.98 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.353 0.596 . . . . 0.0 109.514 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.51 107.17 36.85 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.16 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -44.35 -33.93 6.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.815 3.01 . . . . 0.0 114.344 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.42 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.14 -30.24 17.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 0.0 110.753 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -64.87 -34.22 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.422 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -66.1 -30.15 70.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.847 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -88.57 -27.81 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.249 0.547 . . . . 0.0 110.546 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -112.23 35.3 3.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.071 0.462 . . . . 0.0 110.474 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 13.5 tptp -65.55 -21.26 66.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -78.59 -27.71 45.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.1 -41.74 12.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.413 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 -179.727 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.4 t30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.802 0.334 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.9 -20.65 63.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.2 mtp180 -62.77 -25.65 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.757 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.48 -31.74 70.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.234 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -71.31 -14.19 62.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.2 -7.71 38.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.462 0.649 . . . . 0.0 109.457 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -115.09 110.21 46.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.668 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.46 -29.73 14.26 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 123.436 2.757 . . . . 0.0 113.602 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.916 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.69 -28.83 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.301 . . . . 0.0 111.437 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -61.3 -37.94 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -66.79 -26.1 66.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.423 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -89.44 -27.8 20.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.235 0.54 . . . . 0.0 110.761 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -114.44 36.35 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.494 . . . . 0.0 110.34 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.2 tptp -63.48 -20.93 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -77.56 -27.37 51.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.955 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -87.88 -42.33 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.557 -179.762 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.489 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 46.3 t30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.779 0.323 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -61.35 -22.6 65.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.234 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtt180 -63.27 -24.74 68.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.63 -31.18 71.25 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.128 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.0 m -71.53 -13.81 61.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.4 mt -97.86 -2.13 41.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.403 0.621 . . . . 0.0 109.679 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 10' ' ' ALA . 45.6 mt -119.14 111.34 37.01 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.114 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.24 -12.86 6.06 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.541 2.827 . . . . 0.0 113.735 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -89.51 -34.15 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.982 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.19 -32.96 13.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.949 0.404 . . . . 0.0 110.467 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.3 ttt180 -68.03 -22.07 64.99 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 110.142 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -64.18 -37.17 86.51 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.393 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -90.71 -26.1 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -108.28 31.43 5.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.5 -15.21 63.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -78.71 -23.55 45.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.819 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -97.1 -43.34 7.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.28 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.1 m . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.914 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 40.0 t-20 . . . . . 0 C--O 1.234 0.289 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -61.29 -21.64 64.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.839 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.48 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.4 mmt180 -63.03 -27.01 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.54 -30.11 71.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.097 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.475 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 3.3 m -72.18 -15.4 61.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -99.77 0.15 41.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.504 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.412 HG22 ' H ' ' A' ' 10' ' ' ALA . 61.7 mt -120.83 107.89 37.59 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.929 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.88 -19.57 11.4 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 123.376 2.717 . . . . 0.0 113.501 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -81.05 -35.17 32.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.326 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -92.89 -35.68 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.83 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.475 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 18.7 ttt180 -67.38 -19.94 65.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.076 0.465 . . . . 0.0 110.616 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.86 -39.97 91.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.367 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -96.31 -22.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.486 0.66 . . . . 0.0 110.025 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -101.52 29.76 4.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -67.72 -20.52 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.473 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -77.88 -40.48 39.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.038 0.447 . . . . 0.0 110.278 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -72.36 -49.06 36.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.39 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.09 -179.088 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.094 0.473 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -61.49 -21.0 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -60.93 -23.21 65.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.122 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.76 -33.58 70.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.572 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -73.25 -7.16 50.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.213 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 66.5 mt -96.86 -10.48 26.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 mt -114.14 109.07 49.67 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -42.56 -36.7 4.9 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.879 3.053 . . . . 0.0 114.282 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.21 83.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.04 -24.11 21.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.526 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -64.75 -33.34 75.73 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.967 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.85 -32.51 72.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.915 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -89.21 -27.41 20.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -104.26 26.54 8.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 0.0 110.584 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 12.6 tptp -70.57 -21.65 62.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.936 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 7.2 tptp -75.18 -47.21 29.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.94 -50.79 61.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.142 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.783 -179.255 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 C--O 1.232 0.145 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -60.21 -20.97 61.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.463 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -62.65 -25.06 67.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.913 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 m -61.31 -30.22 70.36 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.407 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.8 m -70.79 -15.84 62.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.28 -4.37 38.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.461 0.648 . . . . 0.0 109.411 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mt -120.75 105.52 40.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.269 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -46.14 -35.2 14.59 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.636 2.89 . . . . 0.0 113.681 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.34 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.75 -35.36 15.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.592 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 36.6 ttt180 -66.77 -27.34 67.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.93 -40.61 66.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -103.29 11.74 36.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.597 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.63 24.66 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.717 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.29 -26.5 68.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.639 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -71.57 -25.68 62.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.43 -47.03 7.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.216 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.8 m . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.295 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.4 t30 . . . . . 0 C--O 1.231 0.113 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.22 -23.38 65.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.113 0.482 . . . . 0.0 111.25 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.643 ' HD3' HD12 ' A' ' 7' ' ' LEU . 14.9 mmt180 -62.75 -23.65 67.3 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.3 -32.93 71.68 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.204 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.664 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -71.79 -12.97 61.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.76 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.643 HD12 ' HD3' ' A' ' 4' ' ' ARG . 92.6 mt -98.72 -8.44 26.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.478 0.656 . . . . 0.0 109.548 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.27 108.46 54.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.427 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.94 -36.84 11.62 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.676 2.917 . . . . 0.0 114.017 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.05 82.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.81 -32.41 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.71 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.664 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.9 ttp180 -66.16 -31.86 72.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.675 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 13' ' ' ARG . 5.4 mmm180 -65.06 -32.78 74.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.156 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.65 -27.77 19.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.171 0.51 . . . . 0.0 110.723 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -111.21 33.52 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -66.58 -21.31 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -72.14 -35.42 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.12 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.2 -42.72 18.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.149 0.5 . . . . 0.0 110.391 -179.738 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.439 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 53.0 t30 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -60.33 -22.08 62.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.256 0.55 . . . . 0.0 111.149 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 4' ' ' ARG . 15.5 mtp180 -62.46 -24.33 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 m -60.05 -32.84 71.3 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.168 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.649 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -70.61 -14.07 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.74 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.4 mt -95.22 -13.55 24.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.511 0.672 . . . . 0.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -109.24 108.4 60.25 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.789 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.33 -35.82 12.08 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.643 2.895 . . . . 0.0 113.919 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.35 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.89 -31.74 17.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.649 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.7 ttp180 -66.13 -30.59 71.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -65.23 -32.44 74.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.923 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -89.48 -26.96 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.227 0.537 . . . . 0.0 110.724 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -112.2 33.51 4.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.69 -21.74 66.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -75.05 -26.43 59.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.755 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -90.38 -42.7 10.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.968 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.337 -179.76 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 47.4 t30 . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -61.04 -22.04 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.4 mtt180 -63.02 -24.32 67.87 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.19 -31.7 70.39 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.293 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.533 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 5.1 m -71.0 -14.36 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 mt -100.59 -1.11 36.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 0.0 109.871 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 10' ' ' ALA . 53.1 mt -118.62 112.13 37.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.256 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 15.3 Cg_endo -57.44 -13.49 13.52 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.465 2.777 . . . . 0.0 113.229 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -85.84 -31.33 22.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.987 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.96 -37.7 9.28 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.533 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.0 ttt180 -67.12 -18.39 65.28 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.253 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -53.72 -48.56 69.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.641 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -97.18 -15.89 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.269 0.557 . . . . 0.0 110.528 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -101.86 22.14 13.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.001 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -65.93 -22.68 66.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.657 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -68.16 -46.72 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.57 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -74.58 -43.62 54.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.309 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.47 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.6 t30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.785 0.326 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -61.12 -23.81 65.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.47 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 5.8 mmm180 -62.38 -24.03 67.15 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.356 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.6 m -61.09 -31.42 71.1 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.299 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 3.9 m -71.52 -16.28 62.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.57 4.64 43.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.434 0.635 . . . . 0.0 109.418 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.17 103.64 23.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.145 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -44.08 -35.89 8.05 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.805 3.003 . . . . 0.0 113.987 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.02 88.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -90.32 -32.04 16.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.766 0.317 . . . . 0.0 111.058 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 28.6 ttt180 -66.16 -28.72 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 69.8 mtt180 -61.61 -34.11 75.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.683 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -90.16 -27.24 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -108.46 35.89 3.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.166 0.508 . . . . 0.0 111.146 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 19.2 ptpt -70.88 -7.54 46.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -81.8 -24.94 35.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -101.29 -42.15 6.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.906 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.2 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.916 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -60.67 -21.4 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.538 ' HD3' HD12 ' A' ' 7' ' ' LEU . 15.9 mmt180 -61.92 -25.11 67.38 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.982 0.42 . . . . 0.0 111.293 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.17 -30.58 70.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.531 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 4.7 m -71.75 -15.16 62.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.538 HD12 ' HD3' ' A' ' 4' ' ' ARG . 75.9 mt -100.39 -0.62 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.428 0.632 . . . . 0.0 109.368 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.4 mt -120.37 105.27 41.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.519 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 86.7 Cg_exo -47.62 -30.99 13.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.472 2.781 . . . . 0.0 113.684 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.41 -37.43 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.86 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -89.69 -34.63 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.676 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 30.9 ttt180 -68.7 -23.23 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.354 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 10.5 tpt180 -55.85 -43.43 77.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.921 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -91.03 -21.23 21.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.39 0.614 . . . . 0.0 110.621 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -104.97 39.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.804 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -68.12 -25.55 65.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.437 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 15.2 mmtt -80.24 -25.38 39.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -84.11 -50.09 8.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.247 0.546 . . . . 0.0 109.961 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.4 m . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.226 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 33.1 t-20 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -60.25 -23.17 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 39.6 mtp180 -63.48 -26.59 68.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.065 0.459 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.0 m -62.72 -30.79 71.68 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.99 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.0 m -72.26 -14.97 61.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.4 -9.24 36.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 0.0 109.496 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.7 mt -116.32 107.09 47.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.11 -33.98 12.45 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.524 2.816 . . . . 0.0 113.589 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.66 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t -89.82 -31.67 17.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -65.44 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.174 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -61.44 -33.47 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.938 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -91.02 -27.47 18.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -110.21 36.6 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.104 0.478 . . . . 0.0 111.115 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -67.96 -15.8 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.198 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -84.42 -23.25 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -91.56 -43.79 9.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.017 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.714 -179.611 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.465 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.2 t30 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -61.54 -23.6 66.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.046 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.465 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 16.9 mmt180 -62.26 -23.41 66.67 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.388 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.85 -33.8 72.28 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.114 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.653 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 33.6 m -73.96 -9.98 59.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.771 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.98 -7.62 32.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 10' ' ' ALA . 55.9 mt -112.83 112.47 50.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.737 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.37 -23.29 9.98 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.409 2.739 . . . . 0.0 113.894 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -82.51 -34.43 27.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -95.3 -24.93 16.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.944 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.653 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 36.0 ttp180 -64.17 -29.77 70.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.5 -35.55 72.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.501 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.22 -24.6 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.336 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -111.88 26.23 10.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.059 0.456 . . . . 0.0 111.32 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -74.3 -9.36 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.436 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.32 -43.62 32.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.799 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -77.22 -47.07 21.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.243 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.495 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -61.18 -18.78 59.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.616 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -62.4 -24.2 67.26 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.993 0.425 . . . . 0.0 111.281 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.85 -31.01 70.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.361 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -71.02 -16.43 62.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.756 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.27 -2.45 45.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.474 0.654 . . . . 0.0 109.47 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -119.95 106.07 41.86 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -47.0 -34.08 15.95 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.497 2.798 . . . . 0.0 113.511 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.73 86.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.858 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.19 -39.53 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.746 0.308 . . . . 0.0 110.867 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -25.62 68.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.039 0.447 . . . . 0.0 110.344 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' A' ' 13' ' ' ARG . 5.7 ttp180 -58.87 -35.89 73.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.069 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -96.82 -23.1 16.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.609 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -106.86 41.37 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.408 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.21 -37.37 87.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.03 -39.86 87.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.377 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.61 -50.71 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.296 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.857 -179.55 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.455 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.9 t-20 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.966 0.412 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -62.51 -21.64 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.091 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.645 ' HD3' HD12 ' A' ' 7' ' ' LEU . 17.3 mmt180 -63.27 -27.27 69.22 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.61 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.65 -32.02 72.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.921 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.605 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.7 m -71.99 -14.16 61.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.686 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.645 HD12 ' HD3' ' A' ' 4' ' ' ARG . 89.7 mt -96.7 -7.62 33.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.39 0.614 . . . . 0.0 109.577 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.81 111.05 48.72 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.694 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.09 -30.29 24.6 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.311 2.674 . . . . 0.0 113.392 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.87 68.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.37 -36.42 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.651 0.263 . . . . 0.0 110.927 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.605 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 42.9 ttp180 -60.76 -34.21 74.11 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 121.107 0.48 . . . . 0.0 110.326 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -57.84 -35.43 70.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.145 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.56 -25.52 21.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -108.44 37.7 2.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.062 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -65.64 -22.42 66.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.451 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -78.94 -34.48 44.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.16 0.505 . . . . 0.0 110.82 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -81.84 -45.44 15.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.6 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.669 -179.54 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.504 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 43.2 t-20 . . . . . 0 CA--C 1.52 -0.185 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -59.53 -24.53 63.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.865 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.514 ' HD3' HD12 ' A' ' 7' ' ' LEU . 20.6 mmt180 -63.43 -30.62 71.72 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.229 0.537 . . . . 0.0 110.625 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.8 m -64.78 -29.53 70.5 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.771 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 3.4 m -73.3 -14.78 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.396 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 4' ' ' ARG . 64.3 mt -97.87 -3.47 38.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.446 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.477 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 48.0 mm -120.53 106.54 39.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 6.9 Cg_endo -48.8 -31.61 20.07 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.394 2.729 . . . . 0.0 113.387 -178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.45 80.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.583 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.48 -34.52 15.55 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.544 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 25.6 ttt180 -68.39 -25.82 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.831 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -56.84 -43.78 81.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.651 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -97.36 8.69 44.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.652 0.739 . . . . 0.0 110.284 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -131.44 27.85 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.669 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -69.16 -8.1 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.235 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -87.12 -40.99 14.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.49 -46.58 26.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.988 -179.276 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.849 0.357 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -60.79 -19.71 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.968 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -60.68 -26.75 67.34 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.984 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.57 -33.53 71.56 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.9 m -73.91 -11.65 60.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.902 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.1 -9.71 35.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 10' ' ' ALA . 42.0 mm -111.24 112.7 54.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.699 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 -12.78 2.94 Favored 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.577 2.851 . . . . 0.0 113.974 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -90.63 -34.92 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -96.26 -22.69 17.09 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 111.132 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.49 -27.93 69.48 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.703 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -57.76 -38.09 74.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.664 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -88.96 -19.57 25.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.069 0.461 . . . . 0.0 111.58 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.19 27.06 9.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.0 110.946 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -74.16 -17.11 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.662 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -79.68 -26.0 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.761 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -89.95 -47.66 7.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.733 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.473 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.0 t30 . . . . . 0 C--O 1.232 0.177 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.18 -22.76 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.388 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.473 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtp180 -62.85 -24.46 67.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.026 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.34 -30.68 70.66 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.304 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.497 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 7.2 m -71.37 -14.22 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.819 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.94 -0.7 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.406 0.622 . . . . 0.0 109.58 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.468 HG22 ' H ' ' A' ' 10' ' ' ALA . 45.1 mt -120.98 110.41 34.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.987 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.04 -13.83 7.29 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 123.559 2.839 . . . . 0.0 113.609 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.468 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -87.49 -33.68 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.055 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -95.3 -33.24 12.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.841 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 27.0 ttt180 -66.74 -22.88 66.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 110.366 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.71 -46.0 84.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.706 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -93.55 9.03 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.808 0.814 . . . . 0.0 110.26 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -131.61 28.34 4.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.378 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 16' ' ' LYS . 13.5 mmmt -62.4 -23.87 67.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.09 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -80.89 -36.88 30.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.08 -48.81 22.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.7 m . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.95 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.7 t30 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -61.2 -23.13 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.9 mmt180 -63.26 -23.61 67.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.44 -32.5 71.43 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.112 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -71.32 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.62 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -95.5 -8.2 35.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.342 0.592 . . . . 0.0 109.433 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -113.5 108.53 51.97 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.677 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.74 -32.26 16.44 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.383 2.722 . . . . 0.0 113.502 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.99 75.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.766 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.9 -34.66 15.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.921 0.391 . . . . 0.0 110.534 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.28 -26.03 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.157 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -59.86 -40.29 88.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.83 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -90.21 -25.95 20.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.729 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -106.3 32.75 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.265 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -67.0 -19.97 65.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.6 -24.94 36.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.6 -43.37 10.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.944 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.712 -179.793 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.2 t80 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.483 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.3 t30 -91.78 97.33 10.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -61.5 -22.35 65.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.184 0.516 . . . . 0.0 111.082 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.9 mtt180 -63.18 -22.94 67.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.964 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.46 -32.44 71.39 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.136 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.639 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 4.0 m -70.87 -13.48 62.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 mt -95.49 -12.78 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.513 0.673 . . . . 0.0 109.456 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.76 109.05 59.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.755 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.81 -36.13 14.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.558 2.839 . . . . 0.0 113.848 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.13 80.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.77 -33.02 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 0.0 110.529 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.639 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.6 ttp180 -65.9 -30.56 71.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.316 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -64.11 -35.16 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.711 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -89.12 -26.82 21.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.772 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -110.77 36.67 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.067 0.461 . . . . 0.0 110.936 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.1 tptp -65.74 -22.98 66.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.075 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -75.24 -35.15 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -78.63 -44.75 23.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -90.78 81.07 5.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.22 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.6 t80 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.483 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.2 t30 -89.92 94.53 9.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -60.83 -23.56 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.337 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.562 ' HD2' HD12 ' A' ' 7' ' ' LEU . 11.0 mmm180 -62.39 -24.36 67.34 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.175 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 m -73.46 -12.61 60.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.562 HD12 ' HD2' ' A' ' 4' ' ' ARG . 95.6 mt -100.44 -0.47 37.98 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.353 0.596 . . . . 0.0 109.514 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.51 107.17 36.85 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.16 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -44.35 -33.93 6.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.815 3.01 . . . . 0.0 114.344 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.42 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.14 -30.24 17.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 0.0 110.753 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -64.87 -34.22 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.422 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -66.1 -30.15 70.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.847 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -88.57 -27.81 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.249 0.547 . . . . 0.0 110.546 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -112.23 35.3 3.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.071 0.462 . . . . 0.0 110.474 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 13.5 tptp -65.55 -21.26 66.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.01 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -78.59 -27.71 45.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.1 -41.74 12.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.413 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.8 m -90.33 83.65 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.255 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.4 t30 -89.37 93.08 9.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.802 0.334 . . . . 0.0 110.355 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.9 -20.65 63.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.2 mtp180 -62.77 -25.65 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.757 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.48 -31.74 70.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.234 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -71.31 -14.19 62.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.2 -7.71 38.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.462 0.649 . . . . 0.0 109.457 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -115.09 110.21 46.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.668 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.46 -29.73 14.26 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 123.436 2.757 . . . . 0.0 113.602 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.916 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.69 -28.83 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.301 . . . . 0.0 111.437 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -61.3 -37.94 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -66.79 -26.1 66.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.423 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -89.44 -27.8 20.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.235 0.54 . . . . 0.0 110.761 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -114.44 36.35 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.494 . . . . 0.0 110.34 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 14.2 tptp -63.48 -20.93 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -77.56 -27.37 51.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.955 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -87.88 -42.33 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 m -91.03 81.76 5.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.557 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.6 t80 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 46.3 t30 -89.97 93.44 9.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.779 0.323 . . . . 0.0 110.133 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -61.35 -22.6 65.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.234 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtt180 -63.27 -24.74 68.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.63 -31.18 71.25 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.128 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.0 m -71.53 -13.81 61.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.4 mt -97.86 -2.13 41.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.403 0.621 . . . . 0.0 109.679 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 10' ' ' ALA . 45.6 mt -119.14 111.34 37.01 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.114 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.24 -12.86 6.06 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.541 2.827 . . . . 0.0 113.735 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -89.51 -34.15 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.982 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.19 -32.96 13.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.949 0.404 . . . . 0.0 110.467 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.3 ttt180 -68.03 -22.07 64.99 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 110.142 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -64.18 -37.17 86.51 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.393 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -90.71 -26.1 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -108.28 31.43 5.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.5 -15.21 63.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -78.71 -23.55 45.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.819 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -97.1 -43.34 7.45 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.28 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.1 m -91.89 59.27 3.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.914 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.407 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 40.0 t-20 -89.45 105.24 17.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -61.29 -21.64 64.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.839 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.48 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.4 mmt180 -63.03 -27.01 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.54 -30.11 71.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.097 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.475 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 3.3 m -72.18 -15.4 61.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -99.77 0.15 41.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.504 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.412 HG22 ' H ' ' A' ' 10' ' ' ALA . 61.7 mt -120.83 107.89 37.59 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.929 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.88 -19.57 11.4 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 123.376 2.717 . . . . 0.0 113.501 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -81.05 -35.17 32.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.326 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -92.89 -35.68 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.83 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 18.7 ttt180 -67.38 -19.94 65.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.076 0.465 . . . . 0.0 110.616 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.86 -39.97 91.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.367 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -96.31 -22.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.486 0.66 . . . . 0.0 110.025 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -101.52 29.76 4.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -67.72 -20.52 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.473 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -77.88 -40.48 39.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.038 0.447 . . . . 0.0 110.278 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -72.36 -49.06 36.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.39 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.82 61.1 4.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.09 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.402 -0.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -92.24 65.06 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.094 0.473 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -61.49 -21.0 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -60.93 -23.21 65.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.122 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.76 -33.58 70.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.572 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -73.25 -7.16 50.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.213 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 66.5 mt -96.86 -10.48 26.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 mt -114.14 109.07 49.67 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -42.56 -36.7 4.9 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.879 3.053 . . . . 0.0 114.282 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.21 83.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.04 -24.11 21.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.113 0.482 . . . . 0.0 110.526 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -64.75 -33.34 75.73 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.967 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.85 -32.51 72.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.915 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -89.21 -27.41 20.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -104.26 26.54 8.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 0.0 110.584 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 12.6 tptp -70.57 -21.65 62.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.936 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 7.2 tptp -75.18 -47.21 29.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -66.94 -50.79 61.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.142 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -91.42 85.97 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.783 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.186 -0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -91.78 92.59 8.46 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -60.21 -20.97 61.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.463 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -62.65 -25.06 67.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.913 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 m -61.31 -30.22 70.36 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.407 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.8 m -70.79 -15.84 62.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.28 -4.37 38.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.461 0.648 . . . . 0.0 109.411 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mt -120.75 105.52 40.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.269 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -46.14 -35.2 14.59 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.636 2.89 . . . . 0.0 113.681 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.34 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.75 -35.36 15.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.592 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 36.6 ttt180 -66.77 -27.34 67.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.93 -40.61 66.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -103.29 11.74 36.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.597 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.63 24.66 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.717 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.29 -26.5 68.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.639 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -71.57 -25.68 62.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.43 -47.03 7.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.216 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.8 m -93.0 60.56 3.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.295 -178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.322 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.8 t80 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.4 t30 -91.07 98.02 11.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.22 -23.38 65.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.113 0.482 . . . . 0.0 111.25 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.643 ' HD3' HD12 ' A' ' 7' ' ' LEU . 14.9 mmt180 -62.75 -23.65 67.3 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.3 -32.93 71.68 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.204 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.664 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -71.79 -12.97 61.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.76 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.643 HD12 ' HD3' ' A' ' 4' ' ' ARG . 92.6 mt -98.72 -8.44 26.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.478 0.656 . . . . 0.0 109.548 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.27 108.46 54.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.427 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.94 -36.84 11.62 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.676 2.917 . . . . 0.0 114.017 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.05 82.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.81 -32.41 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.71 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.664 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.9 ttp180 -66.16 -31.86 72.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.675 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 13' ' ' ARG . 5.4 mmm180 -65.06 -32.78 74.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.156 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.65 -27.77 19.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.171 0.51 . . . . 0.0 110.723 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -111.21 33.52 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -66.58 -21.31 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -72.14 -35.42 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.12 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.2 -42.72 18.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.41 83.27 5.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.149 0.5 . . . . 0.0 110.391 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.161 -0.472 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.439 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 53.0 t30 -89.86 91.95 8.82 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -60.33 -22.08 62.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.256 0.55 . . . . 0.0 111.149 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 4' ' ' ARG . 15.5 mtp180 -62.46 -24.33 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 m -60.05 -32.84 71.3 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.168 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.649 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.9 m -70.61 -14.07 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.74 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.4 mt -95.22 -13.55 24.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.511 0.672 . . . . 0.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -109.24 108.4 60.25 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.789 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.33 -35.82 12.08 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.643 2.895 . . . . 0.0 113.919 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.35 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.89 -31.74 17.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.649 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 41.7 ttp180 -66.13 -30.59 71.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -65.23 -32.44 74.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.923 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -89.48 -26.96 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.227 0.537 . . . . 0.0 110.724 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -112.2 33.51 4.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.69 -21.74 66.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -75.05 -26.43 59.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.755 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -90.38 -42.7 10.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.968 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -90.58 85.97 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.337 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.24 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.3 t80 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 47.4 t30 -91.17 96.31 10.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -61.04 -22.04 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 31.4 mtt180 -63.02 -24.32 67.87 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.9 m -60.19 -31.7 70.39 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.293 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.533 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 5.1 m -71.0 -14.36 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 mt -100.59 -1.11 36.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 0.0 109.871 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 10' ' ' ALA . 53.1 mt -118.62 112.13 37.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.256 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 15.3 Cg_endo -57.44 -13.49 13.52 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.465 2.777 . . . . 0.0 113.229 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -85.84 -31.33 22.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.987 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -98.96 -37.7 9.28 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.533 ' HG3' ' HA ' ' A' ' 6' ' ' CYS . 21.0 ttt180 -67.12 -18.39 65.28 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.253 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -53.72 -48.56 69.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.641 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -97.18 -15.89 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.269 0.557 . . . . 0.0 110.528 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -101.86 22.14 13.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.001 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -65.93 -22.68 66.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.657 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -68.16 -46.72 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.57 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -74.58 -43.62 54.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.309 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m -91.43 56.7 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.324 -0.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.47 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.6 t30 -93.12 96.74 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.785 0.326 . . . . 0.0 110.224 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -61.12 -23.81 65.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.47 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 5.8 mmm180 -62.38 -24.03 67.15 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.356 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.6 m -61.09 -31.42 71.1 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.299 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 3.9 m -71.52 -16.28 62.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.57 4.64 43.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.434 0.635 . . . . 0.0 109.418 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.17 103.64 23.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.145 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -44.08 -35.89 8.05 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.805 3.003 . . . . 0.0 113.987 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.02 88.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -90.32 -32.04 16.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.766 0.317 . . . . 0.0 111.058 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 28.6 ttt180 -66.16 -28.72 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 69.8 mtt180 -61.61 -34.11 75.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.683 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -90.16 -27.24 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -108.46 35.89 3.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.166 0.508 . . . . 0.0 111.146 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 19.2 ptpt -70.88 -7.54 46.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -81.8 -24.94 35.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -101.29 -42.15 6.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.906 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.2 m -92.79 52.01 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.916 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.44 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.0 t80 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -117.89 116.09 26.24 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -60.67 -21.4 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.538 ' HD3' HD12 ' A' ' 7' ' ' LEU . 15.9 mmt180 -61.92 -25.11 67.38 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.982 0.42 . . . . 0.0 111.293 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.17 -30.58 70.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.531 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 4.7 m -71.75 -15.16 62.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.538 HD12 ' HD3' ' A' ' 4' ' ' ARG . 75.9 mt -100.39 -0.62 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.428 0.632 . . . . 0.0 109.368 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.4 mt -120.37 105.27 41.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.519 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 86.7 Cg_exo -47.62 -30.99 13.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.472 2.781 . . . . 0.0 113.684 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.41 -37.43 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.86 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -89.69 -34.63 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.676 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 30.9 ttt180 -68.7 -23.23 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.354 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 10.5 tpt180 -55.85 -43.43 77.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.921 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -91.03 -21.23 21.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.39 0.614 . . . . 0.0 110.621 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -104.97 39.17 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.804 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -68.12 -25.55 65.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.437 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 15.2 mmtt -80.24 -25.38 39.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -84.11 -50.09 8.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.247 0.546 . . . . 0.0 109.961 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 3.4 m -93.34 58.94 2.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.226 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.482 -0.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 p90 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 33.1 t-20 -89.38 99.68 12.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -60.25 -23.17 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 39.6 mtp180 -63.48 -26.59 68.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.065 0.459 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.0 m -62.72 -30.79 71.68 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.99 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.0 m -72.26 -14.97 61.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.4 -9.24 36.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 0.0 109.496 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.7 mt -116.32 107.09 47.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.11 -33.98 12.45 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.524 2.816 . . . . 0.0 113.589 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.66 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t -89.82 -31.67 17.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -65.44 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.174 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -61.44 -33.47 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.938 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -91.02 -27.47 18.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -110.21 36.6 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.104 0.478 . . . . 0.0 111.115 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -67.96 -15.8 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.198 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -84.42 -23.25 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -91.56 -43.79 9.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.017 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.75 65.02 4.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.714 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.456 -0.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.5 t80 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.465 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 49.2 t30 -93.57 90.81 6.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.831 0.348 . . . . 0.0 110.179 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -61.54 -23.6 66.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.046 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 16.9 mmt180 -62.26 -23.41 66.67 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.388 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.85 -33.8 72.28 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.114 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.653 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 33.6 m -73.96 -9.98 59.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.771 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.98 -7.62 32.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 10' ' ' ALA . 55.9 mt -112.83 112.47 50.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.737 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.37 -23.29 9.98 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.409 2.739 . . . . 0.0 113.894 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -82.51 -34.43 27.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -95.3 -24.93 16.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.944 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.653 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 36.0 ttp180 -64.17 -29.77 70.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.5 -35.55 72.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.501 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.22 -24.6 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.336 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -111.88 26.23 10.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.059 0.456 . . . . 0.0 111.32 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -74.3 -9.36 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.436 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.32 -43.62 32.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.799 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -77.22 -47.07 21.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.243 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.9 m -92.32 84.99 5.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -107.93 112.25 24.76 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -61.18 -18.78 59.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.616 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -62.4 -24.2 67.26 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.993 0.425 . . . . 0.0 111.281 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.85 -31.01 70.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.361 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -71.02 -16.43 62.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.756 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.27 -2.45 45.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.474 0.654 . . . . 0.0 109.47 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -119.95 106.07 41.86 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -47.0 -34.08 15.95 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.497 2.798 . . . . 0.0 113.511 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.73 86.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.858 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.19 -39.53 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.746 0.308 . . . . 0.0 110.867 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -25.62 68.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.039 0.447 . . . . 0.0 110.344 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' A' ' 13' ' ' ARG . 5.7 ttp180 -58.87 -35.89 73.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.069 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -96.82 -23.1 16.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.609 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -106.86 41.37 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.408 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.21 -37.37 87.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.03 -39.86 87.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.377 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.61 -50.71 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.296 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 m -92.9 67.08 4.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.857 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.363 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.455 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 44.9 t-20 -90.83 81.27 5.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.966 0.412 . . . . 0.0 110.134 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -62.51 -21.64 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.091 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.645 ' HD3' HD12 ' A' ' 7' ' ' LEU . 17.3 mmt180 -63.27 -27.27 69.22 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.61 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.65 -32.02 72.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.921 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.605 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.7 m -71.99 -14.16 61.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.686 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.645 HD12 ' HD3' ' A' ' 4' ' ' ARG . 89.7 mt -96.7 -7.62 33.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.39 0.614 . . . . 0.0 109.577 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.81 111.05 48.72 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.694 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.09 -30.29 24.6 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.311 2.674 . . . . 0.0 113.392 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.87 68.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.37 -36.42 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.651 0.263 . . . . 0.0 110.927 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.605 ' HD3' ' O ' ' A' ' 6' ' ' CYS . 42.9 ttp180 -60.76 -34.21 74.11 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 121.107 0.48 . . . . 0.0 110.326 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -57.84 -35.43 70.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.145 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.56 -25.52 21.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -108.44 37.7 2.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.062 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -65.64 -22.42 66.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.451 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -78.94 -34.48 44.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.16 0.505 . . . . 0.0 110.82 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -81.84 -45.44 15.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.6 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -92.08 61.29 3.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.669 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.408 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.504 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 43.2 t-20 -135.51 100.42 4.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -59.53 -24.53 63.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.865 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' HD3' HD12 ' A' ' 7' ' ' LEU . 20.6 mmt180 -63.43 -30.62 71.72 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.229 0.537 . . . . 0.0 110.625 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.8 m -64.78 -29.53 70.5 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.771 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 3.4 m -73.3 -14.78 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.396 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 4' ' ' ARG . 64.3 mt -97.87 -3.47 38.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.446 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 48.0 mm -120.53 106.54 39.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 6.9 Cg_endo -48.8 -31.61 20.07 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.394 2.729 . . . . 0.0 113.387 -178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.45 80.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.583 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.48 -34.52 15.55 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.544 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 25.6 ttt180 -68.39 -25.82 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.831 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -56.84 -43.78 81.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.651 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -97.36 8.69 44.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.652 0.739 . . . . 0.0 110.284 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -131.44 27.85 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.669 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -69.16 -8.1 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.235 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -87.12 -40.99 14.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.122 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.49 -46.58 26.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.93 63.26 4.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.988 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 t80 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.04 82.31 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 110.182 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -60.79 -19.71 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.968 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -60.68 -26.75 67.34 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.984 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.57 -33.53 71.56 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.9 m -73.91 -11.65 60.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.902 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.1 -9.71 35.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 10' ' ' ALA . 42.0 mm -111.24 112.7 54.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.699 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 -12.78 2.94 Favored 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.577 2.851 . . . . 0.0 113.974 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -90.63 -34.92 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -96.26 -22.69 17.09 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 111.132 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.49 -27.93 69.48 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.703 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -57.76 -38.09 74.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.664 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -88.96 -19.57 25.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.069 0.461 . . . . 0.0 111.58 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.19 27.06 9.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.102 0.477 . . . . 0.0 110.946 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -74.16 -17.11 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.662 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -79.68 -26.0 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.761 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -89.95 -47.66 7.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.0 m -92.93 68.86 4.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.733 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.405 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.8 t80 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.473 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 45.0 t30 -89.8 94.25 9.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.18 -22.76 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.388 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.473 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 47.5 mtp180 -62.85 -24.46 67.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.026 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.34 -30.68 70.66 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.304 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.497 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 7.2 m -71.37 -14.22 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.819 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.94 -0.7 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.406 0.622 . . . . 0.0 109.58 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.468 HG22 ' H ' ' A' ' 10' ' ' ALA . 45.1 mt -120.98 110.41 34.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.987 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.04 -13.83 7.29 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 123.559 2.839 . . . . 0.0 113.609 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' H ' HG22 ' A' ' 8' ' ' ILE . . . -87.49 -33.68 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.055 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -95.3 -33.24 12.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.841 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HD2' ' O ' ' A' ' 6' ' ' CYS . 27.0 ttt180 -66.74 -22.88 66.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 110.366 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.71 -46.0 84.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.706 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -93.55 9.03 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.808 0.814 . . . . 0.0 110.26 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -131.61 28.34 4.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.378 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 16' ' ' LYS . 13.5 mmmt -62.4 -23.87 67.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.09 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -80.89 -36.88 30.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.08 -48.81 22.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 2.7 m -93.23 57.24 2.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.95 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.441 -0.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 4' ' ' ARG . 42.7 t30 -89.59 95.07 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -61.2 -23.13 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 17.9 mmt180 -63.26 -23.61 67.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.44 -32.5 71.43 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.112 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -71.32 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.62 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -95.5 -8.2 35.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.342 0.592 . . . . 0.0 109.433 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -113.5 108.53 51.97 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.677 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.74 -32.26 16.44 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.383 2.722 . . . . 0.0 113.502 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.99 75.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.766 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.9 -34.66 15.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.921 0.391 . . . . 0.0 110.534 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.28 -26.03 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.157 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -59.86 -40.29 88.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.83 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -90.21 -25.95 20.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.729 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -106.3 32.75 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.265 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -67.0 -19.97 65.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.6 -24.94 36.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.6 -43.37 10.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.944 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.77 63.1 4.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.712 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.423 -0.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_