data_6pi2_residue ############################ # Computer software used # ############################ 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 6pi2 _Structure_validation_residue.Date_analyzed 2019-09-06 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 ' 4' ' ' PHE . . . . . . . . . . . . . 51.9 p90 . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -104.23 129.2 52.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.59 134.47 63.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.5 m -109.88 128.58 55.43 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.019 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -124.99 105.94 9.58 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 60.0 20.99 10.08 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.587 0.755 . . . . 0.0 111.941 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.91 -20.91 26.03 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -81.2 105.04 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 81.6 m -99.8 113.68 26.35 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -119.52 163.69 16.92 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.476 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -116.26 120.15 38.03 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-O 120.735 0.302 . . . . 0.0 110.966 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--N 1.307 -1.276 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.572 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 15' ' ' LYS . 35.3 p90 . . . . . 0 N--CA 1.418 -2.073 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -105.74 121.21 43.55 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.8 t -106.51 131.96 54.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -114.89 129.49 56.71 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.333 0.587 . . . . 0.0 109.861 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -124.44 98.57 5.8 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.779 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 56.89 30.96 18.86 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.562 1.145 . . . . 0.0 112.095 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.25 -17.82 34.01 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 119.953 -1.118 . . . . 0.0 112.523 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mp -86.1 103.5 12.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.4 m -105.42 135.33 47.01 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -139.69 150.76 45.26 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -100.43 114.54 28.19 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' CZ ' ' A' ' 4' ' ' PHE . 87.8 tttt . . . . . 0 C--N 1.289 -2.032 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 p90 . . . . . 0 N--CA 1.432 -1.361 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -109.05 135.12 50.74 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.662 -177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.82 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.2 m -112.35 129.91 56.14 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.133 0.492 . . . . 0.0 111.131 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -129.58 100.94 5.71 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.139 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 59.21 22.02 10.2 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.515 1.126 . . . . 0.0 113.208 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.17 -20.24 14.35 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.751 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -84.26 102.64 10.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.5 m -106.91 118.21 36.08 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -124.03 148.79 46.76 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.846 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.27 122.02 38.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.029 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt . . . . . 0 C--N 1.301 -1.537 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 176.742 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.8 p90 . . . . . 0 N--CA 1.434 -1.227 0 N-CA-C 110.715 -0.105 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -110.43 113.07 25.43 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 84.7 t -99.55 124.44 52.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.77 128.71 55.47 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -136.69 103.03 5.09 Favored 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.954 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 60.99 24.89 14.96 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.9 0.88 . . . . 0.0 112.259 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.32 -23.79 12.12 Favored Glycine 0 N--CA 1.431 -1.633 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.706 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -85.63 108.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 73.9 m -107.36 128.5 54.52 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.7 145.4 51.62 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.827 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -93.78 110.22 21.86 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--N 1.287 -2.149 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.249 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 . . . . . 0 N--CA 1.418 -2.071 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -98.76 117.55 33.49 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.387 0.613 . . . . 0.0 110.032 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 63.3 t -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.92 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.0 m -109.05 129.59 55.46 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.221 0.534 . . . . 0.0 109.887 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -131.55 106.77 8.41 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.647 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 60.61 23.4 13.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.469 0.708 . . . . 0.0 112.115 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.72 -28.23 9.66 Favored Glycine 0 N--CA 1.433 -1.55 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.926 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.6 109.59 15.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 64.7 m -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -123.08 156.64 34.51 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.045 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -83.74 133.49 34.78 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.807 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--N 1.291 -1.939 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 170.502 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.0 p90 . . . . . 0 N--CA 1.422 -1.83 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -118.75 126.83 52.76 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.286 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 64.9 t -101.64 134.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -109.56 128.94 55.56 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.539 0.685 . . . . 0.0 110.329 177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -133.77 105.31 6.74 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.628 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 62.33 21.87 12.82 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.92 -22.8 20.72 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -82.27 113.72 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -109.89 110.91 22.02 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.479 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -114.77 143.84 44.44 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.343 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -77.74 124.69 28.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--N 1.297 -1.684 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.849 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 N--CA 1.437 -1.08 0 CA-C-O 120.721 0.296 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -111.88 131.0 55.64 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.4 t -116.85 139.54 43.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.27 129.46 55.97 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.243 0.544 . . . . 0.0 110.532 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -134.64 105.31 6.43 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.374 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 58.95 24.63 12.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.425 0.69 . . . . 0.0 112.519 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.05 -27.79 9.9 Favored Glycine 0 N--CA 1.428 -1.839 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.669 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.87 101.36 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.1 m -100.43 113.26 25.88 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -123.1 160.51 26.27 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.024 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -103.07 130.62 50.27 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.3 tttm . . . . . 0 C--N 1.302 -1.48 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.06 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 p90 . . . . . 0 N--CA 1.422 -1.838 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -105.56 124.97 50.43 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -116.58 135.39 57.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.3 m -109.09 129.44 55.47 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-O 121.38 0.61 . . . . 0.0 109.77 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -131.15 109.23 10.29 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 62.6 21.28 12.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.924 0.889 . . . . 0.0 111.271 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -17.06 56.34 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.165 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.72 106.08 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.7 m -100.43 114.06 27.32 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.175 0.512 . . . . 0.0 109.958 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -119.23 160.93 21.25 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.318 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -106.06 127.5 53.22 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttm . . . . . 0 C--N 1.29 -2.01 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 -177.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 . . . . . 0 N--CA 1.426 -1.645 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -97.25 129.47 44.57 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -121.15 136.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 74.2 m -109.96 129.11 55.71 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 121.278 0.561 . . . . 0.0 110.912 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -117.01 91.56 3.61 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.08 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 53.74 43.34 31.18 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.661 1.184 . . . . 0.0 111.48 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.89 -31.66 7.33 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.477 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.97 104.39 12.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.3 m -101.65 122.79 44.54 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -126.16 162.79 24.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.126 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -118.61 121.01 39.16 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.868 0.366 . . . . 0.0 110.36 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp . . . . . 0 C--N 1.298 -1.647 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.41 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 N--CA 1.425 -1.681 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -99.39 124.21 44.32 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -115.77 127.71 73.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.5 m -109.2 129.49 55.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -125.59 103.07 7.66 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.797 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 61.88 21.58 12.38 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.37 -24.58 15.46 Favored Glycine 0 N--CA 1.436 -1.362 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.97 102.6 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.0 m -101.21 123.52 45.47 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.016 0.436 . . . . 0.0 110.479 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -123.97 153.24 41.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.208 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -96.16 104.94 16.93 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp . . . . . 0 N--CA 1.422 -1.861 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.788 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 . . . . . 0 N--CA 1.424 -1.727 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -103.93 118.45 36.7 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 t -102.3 128.57 54.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.98 128.29 56.13 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -122.83 96.5 5.04 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.064 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 58.31 26.59 14.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.485 1.114 . . . . 0.0 111.747 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.31 -28.63 6.78 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.207 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -79.66 104.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.1 m -105.53 129.5 53.79 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.895 0.378 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -134.62 146.53 49.66 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.839 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -94.41 116.01 28.3 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 tttp . . . . . 0 C--N 1.291 -1.961 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.762 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 . . . . . 0 N--CA 1.417 -2.08 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -115.66 121.21 41.87 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.9 t -105.69 140.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.64 133.1 56.11 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.993 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -130.43 103.31 6.6 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.077 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 58.23 24.74 11.8 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.145 0.978 . . . . 0.0 112.337 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.63 -20.35 27.42 Favored Glycine 0 N--CA 1.432 -1.589 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.111 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.86 102.19 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.4 m -105.13 124.1 48.96 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -125.77 147.73 49.31 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.423 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -81.98 110.36 17.17 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.859 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.086 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -102.58 128.41 49.26 Favored 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.211 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.0 t -111.76 138.0 42.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.519 -177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.0 m -109.37 128.73 55.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -127.08 99.35 5.67 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.223 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 56.72 28.87 14.89 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.844 0.715 . . . . 0.0 112.301 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.48 6.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.483 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.67 104.44 12.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.2 m -102.1 112.32 24.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 120.944 0.402 . . . . 0.0 110.082 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -123.89 147.54 47.58 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.03 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -82.2 123.34 28.92 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.661 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 tttm . . . . . 0 C--N 1.293 -1.875 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 179.635 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.4 p90 . . . . . 0 N--CA 1.426 -1.671 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -88.12 122.62 31.91 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.54 133.16 64.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -109.21 128.91 55.43 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.289 0.566 . . . . 0.0 109.818 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -123.49 100.39 6.79 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.731 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 59.69 21.26 9.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.09 0.956 . . . . 0.0 112.438 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.66 -29.12 5.96 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.032 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -81.3 104.61 10.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 66.3 m -99.75 111.73 24.03 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -118.96 160.97 20.99 Favored 'General case' 0 C--N 1.284 -2.249 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -102.43 113.28 26.48 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.085 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--N 1.291 -1.935 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.766 -176.102 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 p90 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.271 0.081 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -112.75 124.22 52.07 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -111.29 133.04 58.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.8 m -115.18 129.39 56.64 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.121 0.486 . . . . 0.0 110.755 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -134.2 103.18 5.65 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 61.74 21.4 12.17 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.262 1.025 . . . . 0.0 112.65 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.44 -19.07 22.41 Favored Glycine 0 C--N 1.304 -1.196 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.723 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.12 99.8 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -102.9 120.63 40.96 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -125.73 140.76 52.42 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -90.33 111.45 22.67 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--N 1.282 -2.345 0 N-CA-C 106.935 -1.505 . . . . 0.0 106.935 179.809 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -108.57 128.68 55.03 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 t -105.88 132.15 53.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -109.76 129.29 55.64 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.252 0.548 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -130.97 99.44 4.9 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 52.21 38.21 23.98 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.215 1.006 . . . . 0.0 112.937 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.05 -22.35 31.64 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.7 102.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.0 m -105.14 115.21 29.88 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.207 0.527 . . . . 0.0 109.588 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -122.35 146.11 47.63 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.381 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -88.32 122.28 31.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.107 0.479 . . . . 0.0 109.722 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 C--N 1.288 -2.093 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.771 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 . . . . . 0 N--CA 1.416 -2.164 0 CA-C-O 120.675 0.274 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -112.34 118.08 34.24 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.8 t -107.35 132.64 54.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.86 128.26 55.22 Favored 'General case' 0 N--CA 1.419 -2.025 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -131.24 103.33 6.41 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 61.78 24.55 14.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.636 0.775 . . . . 0.0 111.584 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.34 -23.43 24.84 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.594 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.42 104.78 6.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.3 m -102.68 114.69 29.14 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.201 0.524 . . . . 0.0 109.595 178.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -119.66 156.72 29.91 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.32 0.581 . . . . 0.0 111.852 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -89.64 125.28 35.18 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.244 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt . . . . . 0 C--N 1.292 -1.911 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 176.333 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 N--CA 1.435 -1.189 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -119.76 128.66 53.95 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.121 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.7 t -109.89 136.04 47.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -112.51 128.74 56.43 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.725 0.774 . . . . 0.0 111.235 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -127.33 105.18 8.35 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.265 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 62.15 21.97 12.8 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.156 0.582 . . . . 0.0 112.559 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.75 -20.35 29.52 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.48 102.88 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -99.51 112.39 24.6 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -118.85 147.4 43.99 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.921 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.65 137.68 32.67 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.246 0.546 . . . . 0.0 111.067 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt . . . . . 0 C--N 1.299 -1.621 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.84 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 . . . . . 0 N--CA 1.427 -1.607 0 CA-C-O 121.435 0.636 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -105.3 113.75 27.52 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.922 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 t -100.93 127.66 53.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -114.61 130.08 56.74 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.077 0.465 . . . . 0.0 111.112 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -128.38 104.22 7.59 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.451 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 57.53 27.14 13.62 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.92 0.888 . . . . 0.0 112.751 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.72 -26.09 10.39 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.368 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.83 108.52 16.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.6 m -108.64 128.48 54.88 Favored 'General case' 0 C--N 1.283 -2.312 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -128.26 149.75 50.34 Favored 'General case' 0 C--N 1.29 -1.978 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -88.33 116.75 26.77 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.41 0.624 . . . . 0.0 110.125 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttp . . . . . 0 C--N 1.287 -2.126 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 178.627 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 . . . . . 0 N--CA 1.416 -2.157 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.44 113.98 27.18 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 95.6 t -98.78 132.31 44.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.26 128.62 55.22 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -134.98 104.85 6.11 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 63.66 21.23 12.62 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.406 1.083 . . . . 0.0 111.225 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.41 -22.47 28.75 Favored Glycine 0 N--CA 1.43 -1.714 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.613 -177.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.5 100.06 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 65.3 m -100.08 125.29 46.15 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -131.74 151.35 51.71 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -89.29 111.86 22.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--N 1.294 -1.807 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -84.91 116.66 23.46 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.258 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m -120.14 140.22 51.43 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.312 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -138.12 151.05 47.41 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -104.23 129.2 52.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.59 134.47 63.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.5 m -109.88 128.58 55.43 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.019 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -124.99 105.94 9.58 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 60.0 20.99 10.08 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.587 0.755 . . . . 0.0 111.941 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.91 -20.91 26.03 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -81.2 105.04 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 81.6 m -99.8 113.68 26.35 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -119.52 163.69 16.92 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.476 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -116.26 120.15 38.03 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-O 120.735 0.302 . . . . 0.0 110.966 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -95.52 140.06 30.91 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -135.31 130.02 34.4 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -104.66 103.39 13.02 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.596 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 116.042 -0.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 121.193 0.521 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -120.29 120.18 35.32 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -106.12 136.11 46.4 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.347 0.594 . . . . 0.0 110.546 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 15' ' ' LYS . 35.3 p90 -137.93 149.51 46.25 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.369 -0.832 . . . . 0.0 108.966 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -105.74 121.21 43.55 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.8 t -106.51 131.96 54.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -114.89 129.49 56.71 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.333 0.587 . . . . 0.0 109.861 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -124.44 98.57 5.8 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.779 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 56.89 30.96 18.86 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.562 1.145 . . . . 0.0 112.095 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.25 -17.82 34.01 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 119.953 -1.118 . . . . 0.0 112.523 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mp -86.1 103.5 12.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.4 m -105.42 135.33 47.01 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -139.69 150.76 45.26 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -100.43 114.54 28.19 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' CZ ' ' A' ' 4' ' ' PHE . 87.8 tttt -100.59 131.5 46.47 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -117.16 129.31 55.87 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 120.993 0.425 . . . . 0.0 110.748 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -116.84 109.37 17.0 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.329 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 . . . . . 0 N--CA 1.467 0.415 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -102.0 168.17 9.57 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.229 0.538 . . . . 0.0 111.165 -173.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -110.34 144.24 39.37 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 173.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -137.69 152.58 49.42 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -109.05 135.12 50.74 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.662 -177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.82 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.2 m -112.35 129.91 56.14 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.133 0.492 . . . . 0.0 111.131 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -129.58 100.94 5.71 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.139 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 59.21 22.02 10.2 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.515 1.126 . . . . 0.0 113.208 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.17 -20.24 14.35 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.751 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -84.26 102.64 10.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.5 m -106.91 118.21 36.08 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -124.03 148.79 46.76 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.846 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.27 122.02 38.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.029 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -106.69 146.5 30.71 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -124.02 129.86 51.62 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -125.5 106.21 9.61 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 116.681 -0.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 . . . . . 0 CA--C 1.511 -0.533 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -84.19 109.85 18.07 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 121.331 0.586 . . . . 0.0 111.778 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.1 m -118.78 136.51 53.94 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -137.51 158.9 43.41 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.715 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -110.43 113.07 25.43 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 84.7 t -99.55 124.44 52.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.77 128.71 55.47 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -136.69 103.03 5.09 Favored 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.954 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 60.99 24.89 14.96 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.9 0.88 . . . . 0.0 112.259 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.32 -23.79 12.12 Favored Glycine 0 N--CA 1.431 -1.633 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.706 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -85.63 108.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 73.9 m -107.36 128.5 54.52 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.7 145.4 51.62 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.827 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -93.78 110.22 21.86 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -107.33 141.18 39.1 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -123.8 148.43 46.7 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 120.688 0.28 . . . . 0.0 111.063 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -127.89 108.39 10.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.635 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.439 0 CA-C-N 116.374 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 120.716 0.293 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -86.49 149.54 24.9 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 -176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -129.07 143.08 50.75 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -117.98 140.17 50.13 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -98.76 117.55 33.49 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.387 0.613 . . . . 0.0 110.032 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 63.3 t -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.92 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.0 m -109.05 129.59 55.46 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.221 0.534 . . . . 0.0 109.887 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -131.55 106.77 8.41 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.647 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 60.61 23.4 13.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.469 0.708 . . . . 0.0 112.115 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.72 -28.23 9.66 Favored Glycine 0 N--CA 1.433 -1.55 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.926 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.6 109.59 15.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 64.7 m -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -123.08 156.64 34.51 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.045 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -83.74 133.49 34.78 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.807 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -110.65 120.18 41.58 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.5 m -114.96 138.94 50.25 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -124.2 96.52 4.96 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.423 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -90.81 167.12 12.7 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.6 m -126.73 175.35 8.05 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -117.29 160.32 21.29 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -118.75 126.83 52.76 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.286 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 64.9 t -101.64 134.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -109.56 128.94 55.56 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.539 0.685 . . . . 0.0 110.329 177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -133.77 105.31 6.74 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.628 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 62.33 21.87 12.82 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.92 -22.8 20.72 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -82.27 113.72 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -109.89 110.91 22.02 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.479 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -114.77 143.84 44.44 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.343 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -77.74 124.69 28.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -120.03 125.85 49.37 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -115.43 152.23 33.28 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -105.22 92.72 4.33 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.053 0.454 . . . . 0.0 109.906 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.227 0 CA-C-N 116.319 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 . . . . . 0 CA--C 1.502 -0.897 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -120.68 134.01 55.31 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.7 m -119.03 147.47 44.07 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -105.53 158.46 16.66 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 122.731 0.412 . . . . 0.0 110.888 -174.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -111.88 131.0 55.64 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.4 t -116.85 139.54 43.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.27 129.46 55.97 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.243 0.544 . . . . 0.0 110.532 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -134.64 105.31 6.43 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.374 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 58.95 24.63 12.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.425 0.69 . . . . 0.0 112.519 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.05 -27.79 9.9 Favored Glycine 0 N--CA 1.428 -1.839 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.669 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.87 101.36 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.1 m -100.43 113.26 25.88 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -123.1 160.51 26.27 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.024 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -103.07 130.62 50.27 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -130.69 150.08 52.04 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -121.67 150.15 42.18 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -90.45 97.46 11.2 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 122.291 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.2 m-90 -84.38 108.83 17.42 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.368 0.604 . . . . 0.0 110.225 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 78.3 m -134.5 140.45 46.19 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.634 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -124.39 148.69 47.39 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -105.56 124.97 50.43 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -116.58 135.39 57.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.3 m -109.09 129.44 55.47 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-O 121.38 0.61 . . . . 0.0 109.77 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -131.15 109.23 10.29 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 62.6 21.28 12.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.924 0.889 . . . . 0.0 111.271 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -17.06 56.34 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.165 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.72 106.08 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.7 m -100.43 114.06 27.32 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.175 0.512 . . . . 0.0 109.958 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -119.23 160.93 21.25 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.318 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -106.06 127.5 53.22 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -119.05 136.66 54.02 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.7 m -114.78 138.64 50.5 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -160.73 91.36 0.89 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.389 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 . . . . . 0 C--O 1.242 0.66 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -74.3 115.58 13.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.007 0.432 . . . . 0.0 110.592 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -144.52 144.79 31.51 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -138.86 137.69 36.78 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -97.25 129.47 44.57 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -121.15 136.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 74.2 m -109.96 129.11 55.71 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 121.278 0.561 . . . . 0.0 110.912 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -117.01 91.56 3.61 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.08 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 53.74 43.34 31.18 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.661 1.184 . . . . 0.0 111.48 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.89 -31.66 7.33 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.477 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.97 104.39 12.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.3 m -101.65 122.79 44.54 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -126.16 162.79 24.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.126 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -118.61 121.01 39.16 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.868 0.366 . . . . 0.0 110.36 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -98.23 131.77 44.29 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -131.18 168.48 17.4 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.419 0.628 . . . . 0.0 111.861 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -132.56 107.08 8.21 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.459 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 CA-C-N 116.405 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--O 1.245 0.83 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -73.31 118.49 16.32 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-O 121.127 0.489 . . . . 0.0 110.0 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.9 m -136.34 151.58 49.74 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.941 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -134.43 152.14 51.61 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -99.39 124.21 44.32 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -115.77 127.71 73.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.5 m -109.2 129.49 55.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -125.59 103.07 7.66 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.797 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 61.88 21.58 12.38 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.37 -24.58 15.46 Favored Glycine 0 N--CA 1.436 -1.362 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.97 102.6 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.0 m -101.21 123.52 45.47 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.016 0.436 . . . . 0.0 110.479 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -123.97 153.24 41.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.208 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -96.16 104.94 16.93 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -96.47 124.42 40.46 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -116.9 162.7 17.33 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -110.9 89.44 3.04 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.269 0.556 . . . . 0.0 110.538 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.65 0 CA-C-N 116.21 -0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? . . . . . 0 CA--C 1.511 -0.55 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -79.66 109.98 14.57 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 121.129 0.49 . . . . 0.0 110.594 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.5 m -133.38 138.46 46.3 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.789 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -140.27 147.54 40.11 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -103.93 118.45 36.7 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 t -102.3 128.57 54.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.98 128.29 56.13 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -122.83 96.5 5.04 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.064 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 58.31 26.59 14.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.485 1.114 . . . . 0.0 111.747 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.31 -28.63 6.78 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.207 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -79.66 104.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.1 m -105.53 129.5 53.79 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.895 0.378 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -134.62 146.53 49.66 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.839 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -94.41 116.01 28.3 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -108.03 130.13 55.09 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -117.98 143.73 46.13 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 120.792 0.33 . . . . 0.0 110.649 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -115.74 97.78 6.32 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.097 0 CA-C-N 116.407 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.0 m-90 -93.94 135.85 34.85 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.987 -175.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.6 m -108.64 127.3 53.85 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.831 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -122.43 160.05 26.31 Favored 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.274 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -115.66 121.21 41.87 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.9 t -105.69 140.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.64 133.1 56.11 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.993 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -130.43 103.31 6.6 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.077 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 58.23 24.74 11.8 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.145 0.978 . . . . 0.0 112.337 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.63 -20.35 27.42 Favored Glycine 0 N--CA 1.432 -1.589 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.111 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.86 102.19 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.4 m -105.13 124.1 48.96 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -125.77 147.73 49.31 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.423 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -81.98 110.36 17.17 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.859 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -110.88 119.33 38.73 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.8 t -130.46 150.17 51.8 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.41 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -136.91 98.96 3.89 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.621 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.517 0 CA-C-N 116.301 -0.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 . . . . . 0 CA--C 1.512 -0.5 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -79.69 117.21 20.4 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.513 176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.9 m -123.19 155.68 36.61 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.186 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -138.06 149.08 45.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -102.58 128.41 49.26 Favored 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.211 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.0 t -111.76 138.0 42.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.519 -177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.0 m -109.37 128.73 55.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -127.08 99.35 5.67 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.223 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 56.72 28.87 14.89 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.844 0.715 . . . . 0.0 112.301 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.48 6.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.483 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.67 104.44 12.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.2 m -102.1 112.32 24.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 120.944 0.402 . . . . 0.0 110.082 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -123.89 147.54 47.58 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.03 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -82.2 123.34 28.92 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.661 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -113.68 138.01 50.81 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.72 135.41 54.2 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.934 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -133.08 95.97 3.66 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.699 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 CA-C-N 116.445 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 CA--C 1.507 -0.705 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -66.78 116.99 8.28 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.381 0.61 . . . . 0.0 111.827 -175.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.3 m -128.78 138.5 52.12 Favored 'General case' 0 N--CA 1.414 -2.231 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.456 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -130.36 151.84 50.43 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.011 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -88.12 122.62 31.91 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.54 133.16 64.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -109.21 128.91 55.43 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.289 0.566 . . . . 0.0 109.818 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -123.49 100.39 6.79 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.731 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 59.69 21.26 9.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.09 0.956 . . . . 0.0 112.438 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.66 -29.12 5.96 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.032 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -81.3 104.61 10.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 66.3 m -99.75 111.73 24.03 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -118.96 160.97 20.99 Favored 'General case' 0 C--N 1.284 -2.249 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -102.43 113.28 26.48 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.085 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -95.83 140.28 30.83 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.766 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.1 m -114.11 150.41 34.14 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 120.701 0.286 . . . . 0.0 110.713 -177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.25 89.63 8.0 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 CA-C-N 116.527 -0.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 . . . . . 0 CA--C 1.505 -0.782 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -80.08 137.68 36.82 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.041 0.448 . . . . 0.0 110.762 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 m -121.69 144.98 48.46 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -131.53 160.11 36.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 122.302 -0.249 . . . . 0.0 110.837 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -112.75 124.22 52.07 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -111.29 133.04 58.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.8 m -115.18 129.39 56.64 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.121 0.486 . . . . 0.0 110.755 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -134.2 103.18 5.65 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 61.74 21.4 12.17 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.262 1.025 . . . . 0.0 112.65 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.44 -19.07 22.41 Favored Glycine 0 C--N 1.304 -1.196 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.723 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.12 99.8 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -102.9 120.63 40.96 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -125.73 140.76 52.42 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -90.33 111.45 22.67 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -104.46 145.19 30.64 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 106.935 -1.505 . . . . 0.0 106.935 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.9 t -136.63 170.1 16.62 Favored 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -103.72 93.68 5.03 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 CA-C-N 116.114 -0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 111.483 0.179 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -99.63 169.75 9.06 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.318 -0.864 . . . . 0.0 110.674 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.2 m -114.65 160.51 19.25 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -137.16 160.45 38.96 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -108.57 128.68 55.03 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 t -105.88 132.15 53.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -109.76 129.29 55.64 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.252 0.548 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -130.97 99.44 4.9 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 52.21 38.21 23.98 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.215 1.006 . . . . 0.0 112.937 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.05 -22.35 31.64 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.7 102.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.0 m -105.14 115.21 29.88 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.207 0.527 . . . . 0.0 109.588 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -122.35 146.11 47.63 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.381 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -88.32 122.28 31.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.107 0.479 . . . . 0.0 109.722 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -122.6 146.6 47.29 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 m -123.46 129.75 51.69 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -97.21 87.01 4.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.626 0 CA-C-N 116.131 -0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 . . . . . 0 CA--C 1.546 0.809 0 CA-C-O 121.773 0.797 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -83.91 135.66 34.4 Favored 'General case' 0 N--CA 1.434 -1.256 0 O-C-N 121.317 -0.865 . . . . 0.0 109.81 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.4 m -118.25 137.02 53.32 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.746 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -119.26 160.19 22.66 Favored 'General case' 0 N--CA 1.416 -2.164 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.65 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -112.34 118.08 34.24 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.8 t -107.35 132.64 54.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.86 128.26 55.22 Favored 'General case' 0 N--CA 1.419 -2.025 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -131.24 103.33 6.41 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 61.78 24.55 14.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.636 0.775 . . . . 0.0 111.584 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.34 -23.43 24.84 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.594 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.42 104.78 6.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.3 m -102.68 114.69 29.14 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.201 0.524 . . . . 0.0 109.595 178.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -119.66 156.72 29.91 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.32 0.581 . . . . 0.0 111.852 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -89.64 125.28 35.18 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.244 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -129.02 129.14 44.96 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 176.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.6 m -114.86 155.19 27.27 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -172.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -107.49 99.81 9.29 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 CA--C 1.509 -0.597 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -95.85 145.04 25.68 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.5 m -121.77 133.43 54.92 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -112.98 160.22 18.33 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -119.76 128.66 53.95 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.121 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.7 t -109.89 136.04 47.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -112.51 128.74 56.43 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.725 0.774 . . . . 0.0 111.235 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -127.33 105.18 8.35 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.265 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 62.15 21.97 12.8 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.156 0.582 . . . . 0.0 112.559 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.75 -20.35 29.52 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.48 102.88 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -99.51 112.39 24.6 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -118.85 147.4 43.99 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.921 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.65 137.68 32.67 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.246 0.546 . . . . 0.0 111.067 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -117.47 131.23 56.77 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.4 m -114.08 144.61 42.86 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -128.13 96.18 4.39 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.612 0 CA-C-N 116.154 -0.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 . . . . . 0 CA--C 1.488 -1.434 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -79.73 109.51 14.21 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.82 0.819 . . . . 0.0 110.087 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -103.77 131.19 51.19 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -122.68 158.22 30.55 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 121.435 0.636 . . . . 0.0 112.054 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -105.3 113.75 27.52 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.922 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 t -100.93 127.66 53.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -114.61 130.08 56.74 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.077 0.465 . . . . 0.0 111.112 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -128.38 104.22 7.59 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.451 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 57.53 27.14 13.62 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.92 0.888 . . . . 0.0 112.751 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.72 -26.09 10.39 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.368 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.83 108.52 16.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.6 m -108.64 128.48 54.88 Favored 'General case' 0 C--N 1.283 -2.312 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -128.26 149.75 50.34 Favored 'General case' 0 C--N 1.29 -1.978 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -88.33 116.75 26.77 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.41 0.624 . . . . 0.0 110.125 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -112.07 134.73 53.44 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 t -147.47 132.88 18.58 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.157 -173.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -102.13 77.06 1.64 Allowed 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 121.544 0.688 . . . . 0.0 110.341 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 . . . . . 0 N--CA 1.461 0.097 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.5 m-90 -98.57 122.52 41.88 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-O 121.384 0.611 . . . . 0.0 110.514 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.3 m -132.25 148.47 52.45 Favored 'General case' 0 N--CA 1.413 -2.319 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.848 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -124.73 142.84 51.11 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.44 113.98 27.18 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 95.6 t -98.78 132.31 44.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.26 128.62 55.22 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -134.98 104.85 6.11 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 63.66 21.23 12.62 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.406 1.083 . . . . 0.0 111.225 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.41 -22.47 28.75 Favored Glycine 0 N--CA 1.43 -1.714 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.613 -177.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.5 100.06 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 65.3 m -100.08 125.29 46.15 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -131.74 151.35 51.71 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -89.29 111.86 22.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -105.96 131.07 53.71 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -114.0 141.52 47.32 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.714 0.292 . . . . 0.0 110.423 -175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -80.65 -76.08 0.25 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.761 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.027 0 CA-C-N 116.663 -0.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.9 p90 . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -104.23 129.2 52.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.59 134.47 63.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.5 m -109.88 128.58 55.43 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.019 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -124.99 105.94 9.58 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 60.0 20.99 10.08 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.587 0.755 . . . . 0.0 111.941 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.91 -20.91 26.03 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -81.2 105.04 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 81.6 m -99.8 113.68 26.35 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -119.52 163.69 16.92 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.476 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -116.26 120.15 38.03 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-O 120.735 0.302 . . . . 0.0 110.966 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--N 1.307 -1.276 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.572 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CZ ' ' HD3' ' A' ' 15' ' ' LYS . 35.3 p90 . . . . . 0 N--CA 1.418 -2.073 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -105.74 121.21 43.55 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.8 t -106.51 131.96 54.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -114.89 129.49 56.71 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.333 0.587 . . . . 0.0 109.861 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -124.44 98.57 5.8 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.779 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 56.89 30.96 18.86 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.562 1.145 . . . . 0.0 112.095 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.25 -17.82 34.01 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 119.953 -1.118 . . . . 0.0 112.523 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mp -86.1 103.5 12.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.4 m -105.42 135.33 47.01 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -139.69 150.76 45.26 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -100.43 114.54 28.19 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HD3' ' CZ ' ' A' ' 4' ' ' PHE . 87.8 tttt . . . . . 0 C--N 1.289 -2.032 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 p90 . . . . . 0 N--CA 1.432 -1.361 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -109.05 135.12 50.74 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.662 -177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.82 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.2 m -112.35 129.91 56.14 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.133 0.492 . . . . 0.0 111.131 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -129.58 100.94 5.71 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.139 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 59.21 22.02 10.2 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.515 1.126 . . . . 0.0 113.208 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.17 -20.24 14.35 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.751 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -84.26 102.64 10.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.5 m -106.91 118.21 36.08 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -124.03 148.79 46.76 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.846 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.27 122.02 38.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.029 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt . . . . . 0 C--N 1.301 -1.537 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 176.742 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.8 p90 . . . . . 0 N--CA 1.434 -1.227 0 N-CA-C 110.715 -0.105 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -110.43 113.07 25.43 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 84.7 t -99.55 124.44 52.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.77 128.71 55.47 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -136.69 103.03 5.09 Favored 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.954 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 60.99 24.89 14.96 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.9 0.88 . . . . 0.0 112.259 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.32 -23.79 12.12 Favored Glycine 0 N--CA 1.431 -1.633 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.706 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -85.63 108.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 73.9 m -107.36 128.5 54.52 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.7 145.4 51.62 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.827 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -93.78 110.22 21.86 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--N 1.287 -2.149 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.249 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 . . . . . 0 N--CA 1.418 -2.071 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -98.76 117.55 33.49 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.387 0.613 . . . . 0.0 110.032 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 63.3 t -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.92 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.0 m -109.05 129.59 55.46 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.221 0.534 . . . . 0.0 109.887 -179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -131.55 106.77 8.41 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.647 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 60.61 23.4 13.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.469 0.708 . . . . 0.0 112.115 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.72 -28.23 9.66 Favored Glycine 0 N--CA 1.433 -1.55 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.926 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.6 109.59 15.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.7 m -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -123.08 156.64 34.51 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.045 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -83.74 133.49 34.78 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.807 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--N 1.291 -1.939 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 170.502 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.0 p90 . . . . . 0 N--CA 1.422 -1.83 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -118.75 126.83 52.76 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.286 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 64.9 t -101.64 134.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -109.56 128.94 55.56 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.539 0.685 . . . . 0.0 110.329 177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -133.77 105.31 6.74 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.628 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 62.33 21.87 12.82 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.92 -22.8 20.72 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -82.27 113.72 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -109.89 110.91 22.02 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.479 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -114.77 143.84 44.44 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.343 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -77.74 124.69 28.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--N 1.297 -1.684 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.849 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 N--CA 1.437 -1.08 0 CA-C-O 120.721 0.296 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -111.88 131.0 55.64 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.4 t -116.85 139.54 43.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.27 129.46 55.97 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.243 0.544 . . . . 0.0 110.532 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -134.64 105.31 6.43 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.374 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 58.95 24.63 12.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.425 0.69 . . . . 0.0 112.519 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.05 -27.79 9.9 Favored Glycine 0 N--CA 1.428 -1.839 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.669 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.87 101.36 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.1 m -100.43 113.26 25.88 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -123.1 160.51 26.27 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.024 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -103.07 130.62 50.27 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.3 tttm . . . . . 0 C--N 1.302 -1.48 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.06 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 p90 . . . . . 0 N--CA 1.422 -1.838 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -105.56 124.97 50.43 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -116.58 135.39 57.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.3 m -109.09 129.44 55.47 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-O 121.38 0.61 . . . . 0.0 109.77 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -131.15 109.23 10.29 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 62.6 21.28 12.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.924 0.889 . . . . 0.0 111.271 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -17.06 56.34 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.165 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.72 106.08 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 81.7 m -100.43 114.06 27.32 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.175 0.512 . . . . 0.0 109.958 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -119.23 160.93 21.25 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.318 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -106.06 127.5 53.22 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttm . . . . . 0 C--N 1.29 -2.01 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 -177.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 . . . . . 0 N--CA 1.426 -1.645 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -97.25 129.47 44.57 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -121.15 136.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 74.2 m -109.96 129.11 55.71 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 121.278 0.561 . . . . 0.0 110.912 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -117.01 91.56 3.61 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.08 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 53.74 43.34 31.18 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.661 1.184 . . . . 0.0 111.48 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.89 -31.66 7.33 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.477 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.97 104.39 12.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.3 m -101.65 122.79 44.54 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -126.16 162.79 24.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.126 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -118.61 121.01 39.16 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.868 0.366 . . . . 0.0 110.36 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp . . . . . 0 C--N 1.298 -1.647 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.41 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 N--CA 1.425 -1.681 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -99.39 124.21 44.32 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -115.77 127.71 73.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.5 m -109.2 129.49 55.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -125.59 103.07 7.66 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.797 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 61.88 21.58 12.38 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.37 -24.58 15.46 Favored Glycine 0 N--CA 1.436 -1.362 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.97 102.6 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.0 m -101.21 123.52 45.47 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.016 0.436 . . . . 0.0 110.479 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -123.97 153.24 41.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.208 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -96.16 104.94 16.93 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp . . . . . 0 N--CA 1.422 -1.861 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.788 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 . . . . . 0 N--CA 1.424 -1.727 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -103.93 118.45 36.7 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 t -102.3 128.57 54.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.98 128.29 56.13 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -122.83 96.5 5.04 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.064 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 58.31 26.59 14.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.485 1.114 . . . . 0.0 111.747 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.31 -28.63 6.78 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.207 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -79.66 104.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.1 m -105.53 129.5 53.79 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.895 0.378 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -134.62 146.53 49.66 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.839 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 14' ' ' ARG . 42.1 ttt180 -94.41 116.01 28.3 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 tttp . . . . . 0 C--N 1.291 -1.961 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.762 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 . . . . . 0 N--CA 1.417 -2.08 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -115.66 121.21 41.87 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.9 t -105.69 140.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.64 133.1 56.11 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.993 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -130.43 103.31 6.6 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.077 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 58.23 24.74 11.8 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.145 0.978 . . . . 0.0 112.337 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.63 -20.35 27.42 Favored Glycine 0 N--CA 1.432 -1.589 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.111 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.86 102.19 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.4 m -105.13 124.1 48.96 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -125.77 147.73 49.31 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.423 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -81.98 110.36 17.17 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.859 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.086 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -102.58 128.41 49.26 Favored 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.211 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.0 t -111.76 138.0 42.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.519 -177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.0 m -109.37 128.73 55.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -127.08 99.35 5.67 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.223 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 56.72 28.87 14.89 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.844 0.715 . . . . 0.0 112.301 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.48 6.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.483 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.67 104.44 12.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.2 m -102.1 112.32 24.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 120.944 0.402 . . . . 0.0 110.082 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -123.89 147.54 47.58 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.03 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -82.2 123.34 28.92 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.661 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 tttm . . . . . 0 C--N 1.293 -1.875 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 179.635 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.4 p90 . . . . . 0 N--CA 1.426 -1.671 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -88.12 122.62 31.91 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.54 133.16 64.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -109.21 128.91 55.43 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.289 0.566 . . . . 0.0 109.818 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -123.49 100.39 6.79 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.731 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 59.69 21.26 9.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.09 0.956 . . . . 0.0 112.438 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.66 -29.12 5.96 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.032 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 11' ' ' ILE . 3.2 mp -81.3 104.61 10.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 66.3 m -99.75 111.73 24.03 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -118.96 160.97 20.99 Favored 'General case' 0 C--N 1.284 -2.249 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -102.43 113.28 26.48 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.085 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--N 1.291 -1.935 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.766 -176.102 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 p90 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.271 0.081 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -112.75 124.22 52.07 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -111.29 133.04 58.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.8 m -115.18 129.39 56.64 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.121 0.486 . . . . 0.0 110.755 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -134.2 103.18 5.65 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 61.74 21.4 12.17 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.262 1.025 . . . . 0.0 112.65 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.44 -19.07 22.41 Favored Glycine 0 C--N 1.304 -1.196 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.723 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.12 99.8 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -102.9 120.63 40.96 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -125.73 140.76 52.42 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -90.33 111.45 22.67 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--N 1.282 -2.345 0 N-CA-C 106.935 -1.505 . . . . 0.0 106.935 179.809 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -108.57 128.68 55.03 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 t -105.88 132.15 53.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -109.76 129.29 55.64 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.252 0.548 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -130.97 99.44 4.9 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 52.21 38.21 23.98 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.215 1.006 . . . . 0.0 112.937 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.05 -22.35 31.64 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.7 102.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.0 m -105.14 115.21 29.88 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.207 0.527 . . . . 0.0 109.588 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -122.35 146.11 47.63 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.381 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -88.32 122.28 31.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.107 0.479 . . . . 0.0 109.722 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 C--N 1.288 -2.093 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.771 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 . . . . . 0 N--CA 1.416 -2.164 0 CA-C-O 120.675 0.274 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -112.34 118.08 34.24 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.8 t -107.35 132.64 54.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.86 128.26 55.22 Favored 'General case' 0 N--CA 1.419 -2.025 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -131.24 103.33 6.41 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 61.78 24.55 14.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.636 0.775 . . . . 0.0 111.584 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.34 -23.43 24.84 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.594 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.42 104.78 6.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.3 m -102.68 114.69 29.14 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.201 0.524 . . . . 0.0 109.595 178.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -119.66 156.72 29.91 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.32 0.581 . . . . 0.0 111.852 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -89.64 125.28 35.18 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.244 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt . . . . . 0 C--N 1.292 -1.911 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 176.333 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 N--CA 1.435 -1.189 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -119.76 128.66 53.95 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.121 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.7 t -109.89 136.04 47.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -112.51 128.74 56.43 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.725 0.774 . . . . 0.0 111.235 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -127.33 105.18 8.35 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.265 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 62.15 21.97 12.8 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.156 0.582 . . . . 0.0 112.559 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.75 -20.35 29.52 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.48 102.88 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -99.51 112.39 24.6 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -118.85 147.4 43.99 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.921 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.65 137.68 32.67 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.246 0.546 . . . . 0.0 111.067 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt . . . . . 0 C--N 1.299 -1.621 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.84 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 . . . . . 0 N--CA 1.427 -1.607 0 CA-C-O 121.435 0.636 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -105.3 113.75 27.52 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.922 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 t -100.93 127.66 53.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -114.61 130.08 56.74 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.077 0.465 . . . . 0.0 111.112 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -128.38 104.22 7.59 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.451 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 57.53 27.14 13.62 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.92 0.888 . . . . 0.0 112.751 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.72 -26.09 10.39 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.368 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.2 mp -83.83 108.52 16.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.6 m -108.64 128.48 54.88 Favored 'General case' 0 C--N 1.283 -2.312 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -128.26 149.75 50.34 Favored 'General case' 0 C--N 1.29 -1.978 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -88.33 116.75 26.77 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.41 0.624 . . . . 0.0 110.125 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttp . . . . . 0 C--N 1.287 -2.126 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 178.627 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 . . . . . 0 N--CA 1.416 -2.157 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.44 113.98 27.18 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 95.6 t -98.78 132.31 44.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 82.4 m -109.26 128.62 55.22 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -134.98 104.85 6.11 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 63.66 21.23 12.62 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.406 1.083 . . . . 0.0 111.225 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.41 -22.47 28.75 Favored Glycine 0 N--CA 1.43 -1.714 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.613 -177.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.5 100.06 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 65.3 m -100.08 125.29 46.15 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -131.74 151.35 51.71 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -89.29 111.86 22.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--N 1.294 -1.807 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -84.91 116.66 23.46 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.258 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m -120.14 140.22 51.43 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.312 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -138.12 151.05 47.41 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -104.23 129.2 52.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.59 134.47 63.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.5 m -109.88 128.58 55.43 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.019 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -124.99 105.94 9.58 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 60.0 20.99 10.08 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.587 0.755 . . . . 0.0 111.941 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.91 -20.91 26.03 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -81.2 105.04 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 81.6 m -99.8 113.68 26.35 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -119.52 163.69 16.92 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.476 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -116.26 120.15 38.03 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-O 120.735 0.302 . . . . 0.0 110.966 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -95.52 140.06 30.91 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -135.31 130.02 34.4 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -104.66 103.39 13.02 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.596 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 116.042 -0.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 121.193 0.521 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -120.29 120.18 35.32 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -106.12 136.11 46.4 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.347 0.594 . . . . 0.0 110.546 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CZ ' ' HD3' ' A' ' 15' ' ' LYS . 35.3 p90 -137.93 149.51 46.25 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.369 -0.832 . . . . 0.0 108.966 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -105.74 121.21 43.55 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.8 t -106.51 131.96 54.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -114.89 129.49 56.71 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.333 0.587 . . . . 0.0 109.861 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -124.44 98.57 5.8 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.779 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 56.89 30.96 18.86 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.562 1.145 . . . . 0.0 112.095 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.25 -17.82 34.01 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 119.953 -1.118 . . . . 0.0 112.523 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mp -86.1 103.5 12.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.4 m -105.42 135.33 47.01 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -139.69 150.76 45.26 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -100.43 114.54 28.19 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HD3' ' CZ ' ' A' ' 4' ' ' PHE . 87.8 tttt -100.59 131.5 46.47 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -117.16 129.31 55.87 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 120.993 0.425 . . . . 0.0 110.748 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -116.84 109.37 17.0 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.329 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 . . . . . 0 N--CA 1.467 0.415 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -102.0 168.17 9.57 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.229 0.538 . . . . 0.0 111.165 -173.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 76.1 m -110.34 144.24 39.37 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 173.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -137.69 152.58 49.42 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -109.05 135.12 50.74 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.662 -177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.82 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.2 m -112.35 129.91 56.14 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.133 0.492 . . . . 0.0 111.131 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -129.58 100.94 5.71 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.139 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 59.21 22.02 10.2 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.515 1.126 . . . . 0.0 113.208 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.17 -20.24 14.35 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.751 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -84.26 102.64 10.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.5 m -106.91 118.21 36.08 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -124.03 148.79 46.76 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.846 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.27 122.02 38.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.029 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -106.69 146.5 30.71 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.2 m -124.02 129.86 51.62 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -125.5 106.21 9.61 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 116.681 -0.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 . . . . . 0 CA--C 1.511 -0.533 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -84.19 109.85 18.07 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 121.331 0.586 . . . . 0.0 111.778 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.1 m -118.78 136.51 53.94 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -137.51 158.9 43.41 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.715 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -110.43 113.07 25.43 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 84.7 t -99.55 124.44 52.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.77 128.71 55.47 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -136.69 103.03 5.09 Favored 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.954 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 60.99 24.89 14.96 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.9 0.88 . . . . 0.0 112.259 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.32 -23.79 12.12 Favored Glycine 0 N--CA 1.431 -1.633 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.706 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -85.63 108.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 73.9 m -107.36 128.5 54.52 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.7 145.4 51.62 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.827 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -93.78 110.22 21.86 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -107.33 141.18 39.1 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -123.8 148.43 46.7 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 120.688 0.28 . . . . 0.0 111.063 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -127.89 108.39 10.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.635 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.439 0 CA-C-N 116.374 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 120.716 0.293 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -86.49 149.54 24.9 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 -176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -129.07 143.08 50.75 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -117.98 140.17 50.13 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -98.76 117.55 33.49 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.387 0.613 . . . . 0.0 110.032 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 63.3 t -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.92 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.0 m -109.05 129.59 55.46 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.221 0.534 . . . . 0.0 109.887 -179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -131.55 106.77 8.41 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.647 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 60.61 23.4 13.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.469 0.708 . . . . 0.0 112.115 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.72 -28.23 9.66 Favored Glycine 0 N--CA 1.433 -1.55 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.926 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.6 109.59 15.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.7 m -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -123.08 156.64 34.51 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.045 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -83.74 133.49 34.78 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.807 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -110.65 120.18 41.58 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.5 m -114.96 138.94 50.25 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -124.2 96.52 4.96 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.423 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -90.81 167.12 12.7 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.6 m -126.73 175.35 8.05 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -117.29 160.32 21.29 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -118.75 126.83 52.76 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.286 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 64.9 t -101.64 134.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -109.56 128.94 55.56 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.539 0.685 . . . . 0.0 110.329 177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -133.77 105.31 6.74 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.628 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 62.33 21.87 12.82 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.92 -22.8 20.72 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -82.27 113.72 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -109.89 110.91 22.02 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.479 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -114.77 143.84 44.44 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.343 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -77.74 124.69 28.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -120.03 125.85 49.37 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -115.43 152.23 33.28 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -105.22 92.72 4.33 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.053 0.454 . . . . 0.0 109.906 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.227 0 CA-C-N 116.319 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 . . . . . 0 CA--C 1.502 -0.897 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -120.68 134.01 55.31 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.7 m -119.03 147.47 44.07 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -105.53 158.46 16.66 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 122.731 0.412 . . . . 0.0 110.888 -174.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -111.88 131.0 55.64 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.4 t -116.85 139.54 43.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.27 129.46 55.97 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.243 0.544 . . . . 0.0 110.532 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -134.64 105.31 6.43 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.374 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 58.95 24.63 12.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.425 0.69 . . . . 0.0 112.519 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.05 -27.79 9.9 Favored Glycine 0 N--CA 1.428 -1.839 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.669 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.87 101.36 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.1 m -100.43 113.26 25.88 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -123.1 160.51 26.27 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.024 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -103.07 130.62 50.27 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -130.69 150.08 52.04 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -121.67 150.15 42.18 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -90.45 97.46 11.2 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 122.291 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.2 m-90 -84.38 108.83 17.42 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.368 0.604 . . . . 0.0 110.225 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 78.3 m -134.5 140.45 46.19 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.634 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -124.39 148.69 47.39 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -105.56 124.97 50.43 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -116.58 135.39 57.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.3 m -109.09 129.44 55.47 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-O 121.38 0.61 . . . . 0.0 109.77 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -131.15 109.23 10.29 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 62.6 21.28 12.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.924 0.889 . . . . 0.0 111.271 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -17.06 56.34 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.165 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.72 106.08 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 81.7 m -100.43 114.06 27.32 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.175 0.512 . . . . 0.0 109.958 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -119.23 160.93 21.25 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.318 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -106.06 127.5 53.22 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -119.05 136.66 54.02 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.7 m -114.78 138.64 50.5 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -160.73 91.36 0.89 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.389 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 . . . . . 0 C--O 1.242 0.66 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -74.3 115.58 13.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.007 0.432 . . . . 0.0 110.592 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -144.52 144.79 31.51 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -138.86 137.69 36.78 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -97.25 129.47 44.57 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -121.15 136.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 74.2 m -109.96 129.11 55.71 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 121.278 0.561 . . . . 0.0 110.912 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -117.01 91.56 3.61 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.08 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 53.74 43.34 31.18 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.661 1.184 . . . . 0.0 111.48 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.89 -31.66 7.33 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.477 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.97 104.39 12.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.3 m -101.65 122.79 44.54 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -126.16 162.79 24.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.126 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -118.61 121.01 39.16 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.868 0.366 . . . . 0.0 110.36 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -98.23 131.77 44.29 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -131.18 168.48 17.4 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.419 0.628 . . . . 0.0 111.861 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -132.56 107.08 8.21 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.459 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 CA-C-N 116.405 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--O 1.245 0.83 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -73.31 118.49 16.32 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-O 121.127 0.489 . . . . 0.0 110.0 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.9 m -136.34 151.58 49.74 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.941 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -134.43 152.14 51.61 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -99.39 124.21 44.32 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -115.77 127.71 73.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.5 m -109.2 129.49 55.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -125.59 103.07 7.66 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.797 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 61.88 21.58 12.38 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.37 -24.58 15.46 Favored Glycine 0 N--CA 1.436 -1.362 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.97 102.6 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.0 m -101.21 123.52 45.47 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.016 0.436 . . . . 0.0 110.479 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -123.97 153.24 41.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.208 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -96.16 104.94 16.93 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -96.47 124.42 40.46 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -116.9 162.7 17.33 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -110.9 89.44 3.04 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.269 0.556 . . . . 0.0 110.538 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.65 0 CA-C-N 116.21 -0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 3.1 tpm_? . . . . . 0 CA--C 1.511 -0.55 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -79.66 109.98 14.57 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 121.129 0.49 . . . . 0.0 110.594 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.5 m -133.38 138.46 46.3 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.789 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -140.27 147.54 40.11 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -103.93 118.45 36.7 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 t -102.3 128.57 54.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.98 128.29 56.13 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -122.83 96.5 5.04 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.064 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 58.31 26.59 14.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.485 1.114 . . . . 0.0 111.747 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.31 -28.63 6.78 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.207 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -79.66 104.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.1 m -105.53 129.5 53.79 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.895 0.378 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -134.62 146.53 49.66 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.839 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 14' ' ' ARG . 42.1 ttt180 -94.41 116.01 28.3 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -108.03 130.13 55.09 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -117.98 143.73 46.13 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 120.792 0.33 . . . . 0.0 110.649 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -115.74 97.78 6.32 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.097 0 CA-C-N 116.407 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.0 m-90 -93.94 135.85 34.85 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.987 -175.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.6 m -108.64 127.3 53.85 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.831 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -122.43 160.05 26.31 Favored 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.274 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -115.66 121.21 41.87 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.9 t -105.69 140.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.64 133.1 56.11 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.993 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -130.43 103.31 6.6 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.077 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 58.23 24.74 11.8 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.145 0.978 . . . . 0.0 112.337 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.63 -20.35 27.42 Favored Glycine 0 N--CA 1.432 -1.589 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.111 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.86 102.19 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.4 m -105.13 124.1 48.96 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -125.77 147.73 49.31 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.423 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -81.98 110.36 17.17 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.859 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -110.88 119.33 38.73 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.8 t -130.46 150.17 51.8 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.41 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -136.91 98.96 3.89 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.621 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.517 0 CA-C-N 116.301 -0.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 . . . . . 0 CA--C 1.512 -0.5 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -79.69 117.21 20.4 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.513 176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.9 m -123.19 155.68 36.61 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.186 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -138.06 149.08 45.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -102.58 128.41 49.26 Favored 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.211 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.0 t -111.76 138.0 42.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.519 -177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.0 m -109.37 128.73 55.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -127.08 99.35 5.67 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.223 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 56.72 28.87 14.89 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.844 0.715 . . . . 0.0 112.301 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.48 6.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.483 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.67 104.44 12.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.2 m -102.1 112.32 24.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 120.944 0.402 . . . . 0.0 110.082 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -123.89 147.54 47.58 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.03 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -82.2 123.34 28.92 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.661 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -113.68 138.01 50.81 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.72 135.41 54.2 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.934 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -133.08 95.97 3.66 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.699 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 CA-C-N 116.445 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 CA--C 1.507 -0.705 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -66.78 116.99 8.28 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.381 0.61 . . . . 0.0 111.827 -175.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 58.3 m -128.78 138.5 52.12 Favored 'General case' 0 N--CA 1.414 -2.231 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.456 177.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -130.36 151.84 50.43 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.011 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -88.12 122.62 31.91 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.54 133.16 64.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -109.21 128.91 55.43 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.289 0.566 . . . . 0.0 109.818 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -123.49 100.39 6.79 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.731 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 59.69 21.26 9.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.09 0.956 . . . . 0.0 112.438 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.66 -29.12 5.96 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.032 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 11' ' ' ILE . 3.2 mp -81.3 104.61 10.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 66.3 m -99.75 111.73 24.03 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -118.96 160.97 20.99 Favored 'General case' 0 C--N 1.284 -2.249 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HG2' ' HB3' ' A' ' 3' ' ' CYS . 49.0 ttt180 -102.43 113.28 26.48 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.085 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -95.83 140.28 30.83 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.766 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.1 m -114.11 150.41 34.14 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 120.701 0.286 . . . . 0.0 110.713 -177.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.25 89.63 8.0 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 CA-C-N 116.527 -0.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 . . . . . 0 CA--C 1.505 -0.782 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -80.08 137.68 36.82 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.041 0.448 . . . . 0.0 110.762 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 m -121.69 144.98 48.46 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -131.53 160.11 36.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 122.302 -0.249 . . . . 0.0 110.837 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -112.75 124.22 52.07 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -111.29 133.04 58.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.8 m -115.18 129.39 56.64 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.121 0.486 . . . . 0.0 110.755 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -134.2 103.18 5.65 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 61.74 21.4 12.17 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.262 1.025 . . . . 0.0 112.65 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.44 -19.07 22.41 Favored Glycine 0 C--N 1.304 -1.196 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.723 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.12 99.8 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -102.9 120.63 40.96 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -125.73 140.76 52.42 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -90.33 111.45 22.67 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -104.46 145.19 30.64 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 106.935 -1.505 . . . . 0.0 106.935 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.9 t -136.63 170.1 16.62 Favored 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -103.72 93.68 5.03 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 CA-C-N 116.114 -0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 111.483 0.179 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -99.63 169.75 9.06 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.318 -0.864 . . . . 0.0 110.674 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.2 m -114.65 160.51 19.25 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -137.16 160.45 38.96 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -108.57 128.68 55.03 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 t -105.88 132.15 53.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -109.76 129.29 55.64 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.252 0.548 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -130.97 99.44 4.9 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 52.21 38.21 23.98 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.215 1.006 . . . . 0.0 112.937 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.05 -22.35 31.64 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.7 102.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.0 m -105.14 115.21 29.88 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.207 0.527 . . . . 0.0 109.588 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -122.35 146.11 47.63 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.381 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -88.32 122.28 31.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.107 0.479 . . . . 0.0 109.722 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -122.6 146.6 47.29 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 m -123.46 129.75 51.69 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -97.21 87.01 4.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.626 0 CA-C-N 116.131 -0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 . . . . . 0 CA--C 1.546 0.809 0 CA-C-O 121.773 0.797 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -83.91 135.66 34.4 Favored 'General case' 0 N--CA 1.434 -1.256 0 O-C-N 121.317 -0.865 . . . . 0.0 109.81 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.4 m -118.25 137.02 53.32 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.746 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -119.26 160.19 22.66 Favored 'General case' 0 N--CA 1.416 -2.164 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.65 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -112.34 118.08 34.24 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.8 t -107.35 132.64 54.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.86 128.26 55.22 Favored 'General case' 0 N--CA 1.419 -2.025 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -131.24 103.33 6.41 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 61.78 24.55 14.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.636 0.775 . . . . 0.0 111.584 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.34 -23.43 24.84 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.594 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.42 104.78 6.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.3 m -102.68 114.69 29.14 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.201 0.524 . . . . 0.0 109.595 178.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -119.66 156.72 29.91 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.32 0.581 . . . . 0.0 111.852 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -89.64 125.28 35.18 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.244 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -129.02 129.14 44.96 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 176.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.6 m -114.86 155.19 27.27 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -172.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -107.49 99.81 9.29 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 CA--C 1.509 -0.597 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -95.85 145.04 25.68 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.5 m -121.77 133.43 54.92 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -112.98 160.22 18.33 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -119.76 128.66 53.95 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.121 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.7 t -109.89 136.04 47.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -112.51 128.74 56.43 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.725 0.774 . . . . 0.0 111.235 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -127.33 105.18 8.35 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.265 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 62.15 21.97 12.8 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.156 0.582 . . . . 0.0 112.559 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.75 -20.35 29.52 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.48 102.88 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -99.51 112.39 24.6 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -118.85 147.4 43.99 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.921 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.65 137.68 32.67 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.246 0.546 . . . . 0.0 111.067 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -117.47 131.23 56.77 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.4 m -114.08 144.61 42.86 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -128.13 96.18 4.39 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.612 0 CA-C-N 116.154 -0.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 . . . . . 0 CA--C 1.488 -1.434 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -79.73 109.51 14.21 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.82 0.819 . . . . 0.0 110.087 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -103.77 131.19 51.19 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -122.68 158.22 30.55 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 121.435 0.636 . . . . 0.0 112.054 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -105.3 113.75 27.52 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.922 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 t -100.93 127.66 53.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -114.61 130.08 56.74 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.077 0.465 . . . . 0.0 111.112 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -128.38 104.22 7.59 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.451 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 57.53 27.14 13.62 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.92 0.888 . . . . 0.0 112.751 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.72 -26.09 10.39 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.368 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.2 mp -83.83 108.52 16.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.6 m -108.64 128.48 54.88 Favored 'General case' 0 C--N 1.283 -2.312 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -128.26 149.75 50.34 Favored 'General case' 0 C--N 1.29 -1.978 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -88.33 116.75 26.77 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.41 0.624 . . . . 0.0 110.125 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -112.07 134.73 53.44 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 t -147.47 132.88 18.58 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.157 -173.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -102.13 77.06 1.64 Allowed 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 121.544 0.688 . . . . 0.0 110.341 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 . . . . . 0 N--CA 1.461 0.097 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.5 m-90 -98.57 122.52 41.88 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-O 121.384 0.611 . . . . 0.0 110.514 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.3 m -132.25 148.47 52.45 Favored 'General case' 0 N--CA 1.413 -2.319 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.848 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -124.73 142.84 51.11 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.44 113.98 27.18 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 95.6 t -98.78 132.31 44.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 82.4 m -109.26 128.62 55.22 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -134.98 104.85 6.11 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 63.66 21.23 12.62 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.406 1.083 . . . . 0.0 111.225 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.41 -22.47 28.75 Favored Glycine 0 N--CA 1.43 -1.714 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.613 -177.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.5 100.06 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 65.3 m -100.08 125.29 46.15 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -131.74 151.35 51.71 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -89.29 111.86 22.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -105.96 131.07 53.71 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -114.0 141.52 47.32 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.714 0.292 . . . . 0.0 110.423 -175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -80.65 -76.08 0.25 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.761 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.027 0 CA-C-N 116.663 -0.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.9 p90 . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -104.23 129.2 52.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.59 134.47 63.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.5 m -109.88 128.58 55.43 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.019 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -124.99 105.94 9.58 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 60.0 20.99 10.08 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.587 0.755 . . . . 0.0 111.941 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.91 -20.91 26.03 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -81.2 105.04 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 81.6 m -99.8 113.68 26.35 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -119.52 163.69 16.92 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.476 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -116.26 120.15 38.03 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-O 120.735 0.302 . . . . 0.0 110.966 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--N 1.307 -1.276 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.572 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CZ ' ' HD3' ' A' ' 15' ' ' LYS . 35.3 p90 . . . . . 0 N--CA 1.418 -2.073 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -105.74 121.21 43.55 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.8 t -106.51 131.96 54.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -114.89 129.49 56.71 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.333 0.587 . . . . 0.0 109.861 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -124.44 98.57 5.8 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.779 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 56.89 30.96 18.86 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.562 1.145 . . . . 0.0 112.095 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.25 -17.82 34.01 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 119.953 -1.118 . . . . 0.0 112.523 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mp -86.1 103.5 12.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.4 m -105.42 135.33 47.01 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -139.69 150.76 45.26 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -100.43 114.54 28.19 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HD3' ' CZ ' ' A' ' 4' ' ' PHE . 87.8 tttt . . . . . 0 C--N 1.289 -2.032 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 p90 . . . . . 0 N--CA 1.432 -1.361 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -109.05 135.12 50.74 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.662 -177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.82 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.2 m -112.35 129.91 56.14 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.133 0.492 . . . . 0.0 111.131 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -129.58 100.94 5.71 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.139 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 59.21 22.02 10.2 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.515 1.126 . . . . 0.0 113.208 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.17 -20.24 14.35 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.751 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -84.26 102.64 10.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.5 m -106.91 118.21 36.08 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -124.03 148.79 46.76 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.846 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.27 122.02 38.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.029 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt . . . . . 0 C--N 1.301 -1.537 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 176.742 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.8 p90 . . . . . 0 N--CA 1.434 -1.227 0 N-CA-C 110.715 -0.105 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -110.43 113.07 25.43 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 84.7 t -99.55 124.44 52.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.77 128.71 55.47 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -136.69 103.03 5.09 Favored 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.954 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 60.99 24.89 14.96 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.9 0.88 . . . . 0.0 112.259 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.32 -23.79 12.12 Favored Glycine 0 N--CA 1.431 -1.633 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.706 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -85.63 108.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 73.9 m -107.36 128.5 54.52 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.7 145.4 51.62 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.827 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -93.78 110.22 21.86 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--N 1.287 -2.149 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.249 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 . . . . . 0 N--CA 1.418 -2.071 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -98.76 117.55 33.49 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.387 0.613 . . . . 0.0 110.032 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 63.3 t -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.92 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.0 m -109.05 129.59 55.46 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.221 0.534 . . . . 0.0 109.887 -179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -131.55 106.77 8.41 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.647 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 60.61 23.4 13.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.469 0.708 . . . . 0.0 112.115 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.72 -28.23 9.66 Favored Glycine 0 N--CA 1.433 -1.55 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.926 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.6 109.59 15.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.7 m -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -123.08 156.64 34.51 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.045 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -83.74 133.49 34.78 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.807 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--N 1.291 -1.939 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 170.502 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.0 p90 . . . . . 0 N--CA 1.422 -1.83 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -118.75 126.83 52.76 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.286 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 64.9 t -101.64 134.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -109.56 128.94 55.56 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.539 0.685 . . . . 0.0 110.329 177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -133.77 105.31 6.74 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.628 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 62.33 21.87 12.82 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.92 -22.8 20.72 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -82.27 113.72 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -109.89 110.91 22.02 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.479 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -114.77 143.84 44.44 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.343 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -77.74 124.69 28.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--N 1.297 -1.684 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.849 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 N--CA 1.437 -1.08 0 CA-C-O 120.721 0.296 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -111.88 131.0 55.64 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.4 t -116.85 139.54 43.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.27 129.46 55.97 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.243 0.544 . . . . 0.0 110.532 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -134.64 105.31 6.43 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.374 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 58.95 24.63 12.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.425 0.69 . . . . 0.0 112.519 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.05 -27.79 9.9 Favored Glycine 0 N--CA 1.428 -1.839 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.669 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.87 101.36 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.1 m -100.43 113.26 25.88 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -123.1 160.51 26.27 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.024 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -103.07 130.62 50.27 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.3 tttm . . . . . 0 C--N 1.302 -1.48 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.06 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 p90 . . . . . 0 N--CA 1.422 -1.838 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -105.56 124.97 50.43 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -116.58 135.39 57.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.3 m -109.09 129.44 55.47 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-O 121.38 0.61 . . . . 0.0 109.77 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -131.15 109.23 10.29 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 62.6 21.28 12.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.924 0.889 . . . . 0.0 111.271 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -17.06 56.34 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.165 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.72 106.08 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 81.7 m -100.43 114.06 27.32 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.175 0.512 . . . . 0.0 109.958 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -119.23 160.93 21.25 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.318 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -106.06 127.5 53.22 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttm . . . . . 0 C--N 1.29 -2.01 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 -177.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 . . . . . 0 N--CA 1.426 -1.645 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -97.25 129.47 44.57 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -121.15 136.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 74.2 m -109.96 129.11 55.71 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 121.278 0.561 . . . . 0.0 110.912 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -117.01 91.56 3.61 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.08 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 53.74 43.34 31.18 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.661 1.184 . . . . 0.0 111.48 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.89 -31.66 7.33 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.477 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.97 104.39 12.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.3 m -101.65 122.79 44.54 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -126.16 162.79 24.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.126 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -118.61 121.01 39.16 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.868 0.366 . . . . 0.0 110.36 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp . . . . . 0 C--N 1.298 -1.647 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.41 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 N--CA 1.425 -1.681 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -99.39 124.21 44.32 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -115.77 127.71 73.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.5 m -109.2 129.49 55.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -125.59 103.07 7.66 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.797 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 61.88 21.58 12.38 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.37 -24.58 15.46 Favored Glycine 0 N--CA 1.436 -1.362 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.97 102.6 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.0 m -101.21 123.52 45.47 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.016 0.436 . . . . 0.0 110.479 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -123.97 153.24 41.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.208 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -96.16 104.94 16.93 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp . . . . . 0 N--CA 1.422 -1.861 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.788 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 . . . . . 0 N--CA 1.424 -1.727 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -103.93 118.45 36.7 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 t -102.3 128.57 54.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.98 128.29 56.13 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -122.83 96.5 5.04 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.064 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 58.31 26.59 14.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.485 1.114 . . . . 0.0 111.747 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.31 -28.63 6.78 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.207 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -79.66 104.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.1 m -105.53 129.5 53.79 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.895 0.378 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -134.62 146.53 49.66 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.839 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 14' ' ' ARG . 42.1 ttt180 -94.41 116.01 28.3 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 tttp . . . . . 0 C--N 1.291 -1.961 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.762 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 . . . . . 0 N--CA 1.417 -2.08 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -115.66 121.21 41.87 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.9 t -105.69 140.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.64 133.1 56.11 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.993 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -130.43 103.31 6.6 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.077 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 58.23 24.74 11.8 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.145 0.978 . . . . 0.0 112.337 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.63 -20.35 27.42 Favored Glycine 0 N--CA 1.432 -1.589 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.111 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.86 102.19 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.4 m -105.13 124.1 48.96 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -125.77 147.73 49.31 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.423 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -81.98 110.36 17.17 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.859 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.086 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -102.58 128.41 49.26 Favored 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.211 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.0 t -111.76 138.0 42.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.519 -177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.0 m -109.37 128.73 55.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -127.08 99.35 5.67 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.223 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 56.72 28.87 14.89 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.844 0.715 . . . . 0.0 112.301 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.48 6.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.483 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.67 104.44 12.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.2 m -102.1 112.32 24.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 120.944 0.402 . . . . 0.0 110.082 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -123.89 147.54 47.58 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.03 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -82.2 123.34 28.92 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.661 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 tttm . . . . . 0 C--N 1.293 -1.875 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 179.635 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.4 p90 . . . . . 0 N--CA 1.426 -1.671 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -88.12 122.62 31.91 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.54 133.16 64.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -109.21 128.91 55.43 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.289 0.566 . . . . 0.0 109.818 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -123.49 100.39 6.79 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.731 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 59.69 21.26 9.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.09 0.956 . . . . 0.0 112.438 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.66 -29.12 5.96 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.032 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 11' ' ' ILE . 3.2 mp -81.3 104.61 10.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 66.3 m -99.75 111.73 24.03 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -118.96 160.97 20.99 Favored 'General case' 0 C--N 1.284 -2.249 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -102.43 113.28 26.48 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.085 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--N 1.291 -1.935 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.766 -176.102 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 p90 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.271 0.081 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -112.75 124.22 52.07 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -111.29 133.04 58.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.8 m -115.18 129.39 56.64 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.121 0.486 . . . . 0.0 110.755 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -134.2 103.18 5.65 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 61.74 21.4 12.17 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.262 1.025 . . . . 0.0 112.65 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.44 -19.07 22.41 Favored Glycine 0 C--N 1.304 -1.196 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.723 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.12 99.8 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -102.9 120.63 40.96 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -125.73 140.76 52.42 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -90.33 111.45 22.67 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--N 1.282 -2.345 0 N-CA-C 106.935 -1.505 . . . . 0.0 106.935 179.809 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -108.57 128.68 55.03 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 t -105.88 132.15 53.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -109.76 129.29 55.64 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.252 0.548 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -130.97 99.44 4.9 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 52.21 38.21 23.98 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.215 1.006 . . . . 0.0 112.937 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.05 -22.35 31.64 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.7 102.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.0 m -105.14 115.21 29.88 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.207 0.527 . . . . 0.0 109.588 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -122.35 146.11 47.63 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.381 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -88.32 122.28 31.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.107 0.479 . . . . 0.0 109.722 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 C--N 1.288 -2.093 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.771 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 . . . . . 0 N--CA 1.416 -2.164 0 CA-C-O 120.675 0.274 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -112.34 118.08 34.24 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.8 t -107.35 132.64 54.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.86 128.26 55.22 Favored 'General case' 0 N--CA 1.419 -2.025 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -131.24 103.33 6.41 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 61.78 24.55 14.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.636 0.775 . . . . 0.0 111.584 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.34 -23.43 24.84 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.594 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.42 104.78 6.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.3 m -102.68 114.69 29.14 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.201 0.524 . . . . 0.0 109.595 178.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -119.66 156.72 29.91 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.32 0.581 . . . . 0.0 111.852 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -89.64 125.28 35.18 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.244 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt . . . . . 0 C--N 1.292 -1.911 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 176.333 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 N--CA 1.435 -1.189 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -119.76 128.66 53.95 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.121 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.7 t -109.89 136.04 47.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -112.51 128.74 56.43 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.725 0.774 . . . . 0.0 111.235 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -127.33 105.18 8.35 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.265 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 62.15 21.97 12.8 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.156 0.582 . . . . 0.0 112.559 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.75 -20.35 29.52 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.48 102.88 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -99.51 112.39 24.6 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -118.85 147.4 43.99 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.921 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.65 137.68 32.67 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.246 0.546 . . . . 0.0 111.067 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt . . . . . 0 C--N 1.299 -1.621 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.84 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 . . . . . 0 N--CA 1.427 -1.607 0 CA-C-O 121.435 0.636 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -105.3 113.75 27.52 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.922 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 t -100.93 127.66 53.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -114.61 130.08 56.74 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.077 0.465 . . . . 0.0 111.112 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -128.38 104.22 7.59 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.451 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 57.53 27.14 13.62 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.92 0.888 . . . . 0.0 112.751 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.72 -26.09 10.39 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.368 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.2 mp -83.83 108.52 16.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.6 m -108.64 128.48 54.88 Favored 'General case' 0 C--N 1.283 -2.312 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -128.26 149.75 50.34 Favored 'General case' 0 C--N 1.29 -1.978 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -88.33 116.75 26.77 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.41 0.624 . . . . 0.0 110.125 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttp . . . . . 0 C--N 1.287 -2.126 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 178.627 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 . . . . . 0 N--CA 1.416 -2.157 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.44 113.98 27.18 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 95.6 t -98.78 132.31 44.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 82.4 m -109.26 128.62 55.22 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -134.98 104.85 6.11 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 63.66 21.23 12.62 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.406 1.083 . . . . 0.0 111.225 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.41 -22.47 28.75 Favored Glycine 0 N--CA 1.43 -1.714 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.613 -177.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.5 100.06 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 65.3 m -100.08 125.29 46.15 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -131.74 151.35 51.71 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -89.29 111.86 22.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--N 1.294 -1.807 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -84.91 116.66 23.46 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.258 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m -120.14 140.22 51.43 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.312 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -138.12 151.05 47.41 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -104.23 129.2 52.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.59 134.47 63.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.5 m -109.88 128.58 55.43 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.019 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -124.99 105.94 9.58 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 60.0 20.99 10.08 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.587 0.755 . . . . 0.0 111.941 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.91 -20.91 26.03 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -81.2 105.04 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 81.6 m -99.8 113.68 26.35 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -119.52 163.69 16.92 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.476 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -116.26 120.15 38.03 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-O 120.735 0.302 . . . . 0.0 110.966 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -95.52 140.06 30.91 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -135.31 130.02 34.4 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -104.66 103.39 13.02 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.596 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 116.042 -0.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 121.193 0.521 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -120.29 120.18 35.32 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -106.12 136.11 46.4 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.347 0.594 . . . . 0.0 110.546 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CZ ' ' HD3' ' A' ' 15' ' ' LYS . 35.3 p90 -137.93 149.51 46.25 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.369 -0.832 . . . . 0.0 108.966 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -105.74 121.21 43.55 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.8 t -106.51 131.96 54.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -114.89 129.49 56.71 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.333 0.587 . . . . 0.0 109.861 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -124.44 98.57 5.8 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.779 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 56.89 30.96 18.86 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.562 1.145 . . . . 0.0 112.095 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.25 -17.82 34.01 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 119.953 -1.118 . . . . 0.0 112.523 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mp -86.1 103.5 12.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.4 m -105.42 135.33 47.01 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -139.69 150.76 45.26 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -100.43 114.54 28.19 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HD3' ' CZ ' ' A' ' 4' ' ' PHE . 87.8 tttt -100.59 131.5 46.47 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -117.16 129.31 55.87 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 120.993 0.425 . . . . 0.0 110.748 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -116.84 109.37 17.0 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.329 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 . . . . . 0 N--CA 1.467 0.415 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -102.0 168.17 9.57 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.229 0.538 . . . . 0.0 111.165 -173.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 76.1 m -110.34 144.24 39.37 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 173.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -137.69 152.58 49.42 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -109.05 135.12 50.74 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.662 -177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.82 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.2 m -112.35 129.91 56.14 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.133 0.492 . . . . 0.0 111.131 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -129.58 100.94 5.71 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.139 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 59.21 22.02 10.2 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.515 1.126 . . . . 0.0 113.208 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.17 -20.24 14.35 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.751 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -84.26 102.64 10.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.5 m -106.91 118.21 36.08 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -124.03 148.79 46.76 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.846 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.27 122.02 38.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.029 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -106.69 146.5 30.71 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.2 m -124.02 129.86 51.62 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -125.5 106.21 9.61 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 116.681 -0.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 . . . . . 0 CA--C 1.511 -0.533 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -84.19 109.85 18.07 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 121.331 0.586 . . . . 0.0 111.778 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.1 m -118.78 136.51 53.94 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -137.51 158.9 43.41 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.715 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -110.43 113.07 25.43 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 84.7 t -99.55 124.44 52.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.77 128.71 55.47 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -136.69 103.03 5.09 Favored 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.954 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 60.99 24.89 14.96 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.9 0.88 . . . . 0.0 112.259 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.32 -23.79 12.12 Favored Glycine 0 N--CA 1.431 -1.633 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.706 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -85.63 108.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 73.9 m -107.36 128.5 54.52 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.7 145.4 51.62 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.827 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -93.78 110.22 21.86 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -107.33 141.18 39.1 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -123.8 148.43 46.7 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 120.688 0.28 . . . . 0.0 111.063 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -127.89 108.39 10.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.635 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.439 0 CA-C-N 116.374 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 120.716 0.293 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -86.49 149.54 24.9 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 -176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -129.07 143.08 50.75 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -117.98 140.17 50.13 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -98.76 117.55 33.49 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.387 0.613 . . . . 0.0 110.032 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 63.3 t -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.92 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.0 m -109.05 129.59 55.46 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.221 0.534 . . . . 0.0 109.887 -179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -131.55 106.77 8.41 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.647 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 60.61 23.4 13.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.469 0.708 . . . . 0.0 112.115 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.72 -28.23 9.66 Favored Glycine 0 N--CA 1.433 -1.55 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.926 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.6 109.59 15.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.7 m -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -123.08 156.64 34.51 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.045 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -83.74 133.49 34.78 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.807 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -110.65 120.18 41.58 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.5 m -114.96 138.94 50.25 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -124.2 96.52 4.96 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.423 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -90.81 167.12 12.7 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.6 m -126.73 175.35 8.05 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -117.29 160.32 21.29 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -118.75 126.83 52.76 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.286 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 64.9 t -101.64 134.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -109.56 128.94 55.56 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.539 0.685 . . . . 0.0 110.329 177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -133.77 105.31 6.74 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.628 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 62.33 21.87 12.82 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.92 -22.8 20.72 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -82.27 113.72 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -109.89 110.91 22.02 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.479 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -114.77 143.84 44.44 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.343 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -77.74 124.69 28.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -120.03 125.85 49.37 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -115.43 152.23 33.28 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -105.22 92.72 4.33 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.053 0.454 . . . . 0.0 109.906 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.227 0 CA-C-N 116.319 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 . . . . . 0 CA--C 1.502 -0.897 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -120.68 134.01 55.31 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.7 m -119.03 147.47 44.07 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -105.53 158.46 16.66 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 122.731 0.412 . . . . 0.0 110.888 -174.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -111.88 131.0 55.64 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.4 t -116.85 139.54 43.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.27 129.46 55.97 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.243 0.544 . . . . 0.0 110.532 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -134.64 105.31 6.43 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.374 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 58.95 24.63 12.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.425 0.69 . . . . 0.0 112.519 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.05 -27.79 9.9 Favored Glycine 0 N--CA 1.428 -1.839 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.669 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.87 101.36 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.1 m -100.43 113.26 25.88 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -123.1 160.51 26.27 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.024 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -103.07 130.62 50.27 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -130.69 150.08 52.04 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -121.67 150.15 42.18 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -90.45 97.46 11.2 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 122.291 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.2 m-90 -84.38 108.83 17.42 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.368 0.604 . . . . 0.0 110.225 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 78.3 m -134.5 140.45 46.19 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.634 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -124.39 148.69 47.39 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -105.56 124.97 50.43 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -116.58 135.39 57.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.3 m -109.09 129.44 55.47 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-O 121.38 0.61 . . . . 0.0 109.77 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -131.15 109.23 10.29 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 62.6 21.28 12.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.924 0.889 . . . . 0.0 111.271 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -17.06 56.34 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.165 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.72 106.08 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 81.7 m -100.43 114.06 27.32 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.175 0.512 . . . . 0.0 109.958 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -119.23 160.93 21.25 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.318 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -106.06 127.5 53.22 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -119.05 136.66 54.02 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.7 m -114.78 138.64 50.5 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -160.73 91.36 0.89 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.389 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 . . . . . 0 C--O 1.242 0.66 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -74.3 115.58 13.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.007 0.432 . . . . 0.0 110.592 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -144.52 144.79 31.51 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -138.86 137.69 36.78 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -97.25 129.47 44.57 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -121.15 136.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 74.2 m -109.96 129.11 55.71 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 121.278 0.561 . . . . 0.0 110.912 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -117.01 91.56 3.61 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.08 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 53.74 43.34 31.18 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.661 1.184 . . . . 0.0 111.48 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.89 -31.66 7.33 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.477 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.97 104.39 12.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.3 m -101.65 122.79 44.54 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -126.16 162.79 24.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.126 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -118.61 121.01 39.16 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.868 0.366 . . . . 0.0 110.36 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -98.23 131.77 44.29 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -131.18 168.48 17.4 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.419 0.628 . . . . 0.0 111.861 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -132.56 107.08 8.21 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.459 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 CA-C-N 116.405 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--O 1.245 0.83 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -73.31 118.49 16.32 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-O 121.127 0.489 . . . . 0.0 110.0 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.9 m -136.34 151.58 49.74 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.941 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -134.43 152.14 51.61 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -99.39 124.21 44.32 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -115.77 127.71 73.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.5 m -109.2 129.49 55.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -125.59 103.07 7.66 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.797 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 61.88 21.58 12.38 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.37 -24.58 15.46 Favored Glycine 0 N--CA 1.436 -1.362 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.97 102.6 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.0 m -101.21 123.52 45.47 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.016 0.436 . . . . 0.0 110.479 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -123.97 153.24 41.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.208 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -96.16 104.94 16.93 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -96.47 124.42 40.46 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -116.9 162.7 17.33 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -110.9 89.44 3.04 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.269 0.556 . . . . 0.0 110.538 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.65 0 CA-C-N 116.21 -0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 3.1 tpm_? . . . . . 0 CA--C 1.511 -0.55 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -79.66 109.98 14.57 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 121.129 0.49 . . . . 0.0 110.594 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.5 m -133.38 138.46 46.3 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.789 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -140.27 147.54 40.11 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -103.93 118.45 36.7 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 t -102.3 128.57 54.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -111.98 128.29 56.13 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -122.83 96.5 5.04 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.064 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 58.31 26.59 14.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.485 1.114 . . . . 0.0 111.747 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.31 -28.63 6.78 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.207 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -79.66 104.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.1 m -105.53 129.5 53.79 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.895 0.378 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -134.62 146.53 49.66 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.839 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 14' ' ' ARG . 42.1 ttt180 -94.41 116.01 28.3 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -108.03 130.13 55.09 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -117.98 143.73 46.13 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 120.792 0.33 . . . . 0.0 110.649 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -115.74 97.78 6.32 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.097 0 CA-C-N 116.407 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.0 m-90 -93.94 135.85 34.85 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.987 -175.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.6 m -108.64 127.3 53.85 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.831 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -122.43 160.05 26.31 Favored 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.274 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -115.66 121.21 41.87 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.9 t -105.69 140.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.64 133.1 56.11 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.993 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -130.43 103.31 6.6 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.077 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 58.23 24.74 11.8 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.145 0.978 . . . . 0.0 112.337 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.63 -20.35 27.42 Favored Glycine 0 N--CA 1.432 -1.589 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.111 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.86 102.19 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.4 m -105.13 124.1 48.96 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -125.77 147.73 49.31 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.423 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -81.98 110.36 17.17 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.859 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -110.88 119.33 38.73 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.8 t -130.46 150.17 51.8 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.41 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -136.91 98.96 3.89 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.621 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.517 0 CA-C-N 116.301 -0.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 . . . . . 0 CA--C 1.512 -0.5 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -79.69 117.21 20.4 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.513 176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.9 m -123.19 155.68 36.61 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.186 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -138.06 149.08 45.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -102.58 128.41 49.26 Favored 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.211 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.0 t -111.76 138.0 42.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.519 -177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.0 m -109.37 128.73 55.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -127.08 99.35 5.67 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.223 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 56.72 28.87 14.89 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.844 0.715 . . . . 0.0 112.301 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.48 6.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.483 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.67 104.44 12.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.2 m -102.1 112.32 24.93 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 120.944 0.402 . . . . 0.0 110.082 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -123.89 147.54 47.58 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.03 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -82.2 123.34 28.92 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.661 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -113.68 138.01 50.81 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.72 135.41 54.2 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.934 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -133.08 95.97 3.66 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.699 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 CA-C-N 116.445 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 CA--C 1.507 -0.705 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -66.78 116.99 8.28 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.381 0.61 . . . . 0.0 111.827 -175.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 58.3 m -128.78 138.5 52.12 Favored 'General case' 0 N--CA 1.414 -2.231 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.456 177.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -130.36 151.84 50.43 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.011 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -88.12 122.62 31.91 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.54 133.16 64.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -109.21 128.91 55.43 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.289 0.566 . . . . 0.0 109.818 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -123.49 100.39 6.79 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.731 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 59.69 21.26 9.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.09 0.956 . . . . 0.0 112.438 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.66 -29.12 5.96 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.032 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 11' ' ' ILE . 3.2 mp -81.3 104.61 10.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 66.3 m -99.75 111.73 24.03 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -118.96 160.97 20.99 Favored 'General case' 0 C--N 1.284 -2.249 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HG2' ' HB3' ' A' ' 3' ' ' CYS . 49.0 ttt180 -102.43 113.28 26.48 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.085 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -95.83 140.28 30.83 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.766 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.1 m -114.11 150.41 34.14 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 120.701 0.286 . . . . 0.0 110.713 -177.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.25 89.63 8.0 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 CA-C-N 116.527 -0.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 . . . . . 0 CA--C 1.505 -0.782 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -80.08 137.68 36.82 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.041 0.448 . . . . 0.0 110.762 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 m -121.69 144.98 48.46 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -131.53 160.11 36.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 122.302 -0.249 . . . . 0.0 110.837 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -112.75 124.22 52.07 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -111.29 133.04 58.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.8 m -115.18 129.39 56.64 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.121 0.486 . . . . 0.0 110.755 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -134.2 103.18 5.65 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 61.74 21.4 12.17 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.262 1.025 . . . . 0.0 112.65 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.44 -19.07 22.41 Favored Glycine 0 C--N 1.304 -1.196 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.723 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.12 99.8 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -102.9 120.63 40.96 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -125.73 140.76 52.42 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -90.33 111.45 22.67 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -104.46 145.19 30.64 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 106.935 -1.505 . . . . 0.0 106.935 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.9 t -136.63 170.1 16.62 Favored 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -103.72 93.68 5.03 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 CA-C-N 116.114 -0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 111.483 0.179 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -99.63 169.75 9.06 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.318 -0.864 . . . . 0.0 110.674 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.2 m -114.65 160.51 19.25 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -137.16 160.45 38.96 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -108.57 128.68 55.03 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 t -105.88 132.15 53.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -109.76 129.29 55.64 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.252 0.548 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -130.97 99.44 4.9 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 52.21 38.21 23.98 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.215 1.006 . . . . 0.0 112.937 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.05 -22.35 31.64 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.7 102.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 83.0 m -105.14 115.21 29.88 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.207 0.527 . . . . 0.0 109.588 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -122.35 146.11 47.63 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.381 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -88.32 122.28 31.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.107 0.479 . . . . 0.0 109.722 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -122.6 146.6 47.29 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 m -123.46 129.75 51.69 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -97.21 87.01 4.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.626 0 CA-C-N 116.131 -0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 . . . . . 0 CA--C 1.546 0.809 0 CA-C-O 121.773 0.797 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -83.91 135.66 34.4 Favored 'General case' 0 N--CA 1.434 -1.256 0 O-C-N 121.317 -0.865 . . . . 0.0 109.81 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.4 m -118.25 137.02 53.32 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.746 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -119.26 160.19 22.66 Favored 'General case' 0 N--CA 1.416 -2.164 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.65 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -112.34 118.08 34.24 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.8 t -107.35 132.64 54.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.86 128.26 55.22 Favored 'General case' 0 N--CA 1.419 -2.025 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -131.24 103.33 6.41 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 61.78 24.55 14.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.636 0.775 . . . . 0.0 111.584 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.34 -23.43 24.84 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.594 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.42 104.78 6.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.3 m -102.68 114.69 29.14 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.201 0.524 . . . . 0.0 109.595 178.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -119.66 156.72 29.91 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.32 0.581 . . . . 0.0 111.852 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -89.64 125.28 35.18 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.244 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -129.02 129.14 44.96 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 176.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.6 m -114.86 155.19 27.27 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -172.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -107.49 99.81 9.29 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 CA--C 1.509 -0.597 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -95.85 145.04 25.68 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.5 m -121.77 133.43 54.92 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -112.98 160.22 18.33 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -119.76 128.66 53.95 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.121 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.7 t -109.89 136.04 47.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.6 m -112.51 128.74 56.43 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.725 0.774 . . . . 0.0 111.235 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -127.33 105.18 8.35 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.265 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 62.15 21.97 12.8 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.156 0.582 . . . . 0.0 112.559 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.75 -20.35 29.52 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.48 102.88 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -99.51 112.39 24.6 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -118.85 147.4 43.99 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.921 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.65 137.68 32.67 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.246 0.546 . . . . 0.0 111.067 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -117.47 131.23 56.77 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.4 m -114.08 144.61 42.86 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -128.13 96.18 4.39 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.612 0 CA-C-N 116.154 -0.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 . . . . . 0 CA--C 1.488 -1.434 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -79.73 109.51 14.21 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.82 0.819 . . . . 0.0 110.087 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -103.77 131.19 51.19 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -122.68 158.22 30.55 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 121.435 0.636 . . . . 0.0 112.054 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -105.3 113.75 27.52 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.922 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 t -100.93 127.66 53.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -114.61 130.08 56.74 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.077 0.465 . . . . 0.0 111.112 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -128.38 104.22 7.59 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.451 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 57.53 27.14 13.62 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.92 0.888 . . . . 0.0 112.751 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.72 -26.09 10.39 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.368 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.2 mp -83.83 108.52 16.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 63.6 m -108.64 128.48 54.88 Favored 'General case' 0 C--N 1.283 -2.312 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -128.26 149.75 50.34 Favored 'General case' 0 C--N 1.29 -1.978 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -88.33 116.75 26.77 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.41 0.624 . . . . 0.0 110.125 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -112.07 134.73 53.44 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 t -147.47 132.88 18.58 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.157 -173.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -102.13 77.06 1.64 Allowed 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 121.544 0.688 . . . . 0.0 110.341 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 . . . . . 0 N--CA 1.461 0.097 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.5 m-90 -98.57 122.52 41.88 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-O 121.384 0.611 . . . . 0.0 110.514 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.3 m -132.25 148.47 52.45 Favored 'General case' 0 N--CA 1.413 -2.319 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.848 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -124.73 142.84 51.11 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.44 113.98 27.18 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 95.6 t -98.78 132.31 44.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 82.4 m -109.26 128.62 55.22 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -134.98 104.85 6.11 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 63.66 21.23 12.62 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.406 1.083 . . . . 0.0 111.225 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.41 -22.47 28.75 Favored Glycine 0 N--CA 1.43 -1.714 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.613 -177.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.5 100.06 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 65.3 m -100.08 125.29 46.15 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -131.74 151.35 51.71 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -89.29 111.86 22.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -105.96 131.07 53.71 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -114.0 141.52 47.32 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.714 0.292 . . . . 0.0 110.423 -175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -80.65 -76.08 0.25 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.761 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.027 0 CA-C-N 116.663 -0.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_