data_2le3_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2le3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 CA--C 1.522 -0.096 0 CA-C-O 121.101 0.477 . . . . 1.0 110.347 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.91 123.16 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.774 -1.103 . . . . 1.0 109.723 -179.329 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -130.51 132.76 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.535 0.684 . . . . 1.0 111.804 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -96.77 125.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.644 -1.162 . . . . 1.0 109.362 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.68 155.77 62.57 Favored Pre-proline 0 N--CA 1.451 -0.415 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -50.03 -36.62 45.28 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 121.32 1.347 . . . . 1.0 110.104 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -75.12 -19.61 59.83 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 118.097 0.408 . . . . 1.0 112.034 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.09 -137.99 5.22 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 119.681 -1.247 . . . . 1.0 111.32 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 pt -132.41 150.2 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.6 t0 -128.3 138.36 52.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.195 -0.911 . . . . 1.0 109.511 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.498 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.8 mp -136.28 124.63 23.32 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -119.89 137.32 54.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.904 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -137.59 135.43 36.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.77 -1.104 . . . . 1.0 110.591 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -78.42 152.24 32.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.402 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -56.49 -28.54 60.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.559 0.695 . . . . 1.0 109.729 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.39 -37.82 80.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.888 -1.051 . . . . 1.0 110.445 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 121.361 0.6 . . . . 1.0 110.086 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 121.069 0.462 . . . . 1.0 110.315 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.46 122.43 36.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.52 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.04 132.56 49.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.434 0.635 . . . . 1.0 112.268 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.0 t -98.76 125.66 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.023 -0.989 . . . . 1.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -122.8 152.12 61.87 Favored Pre-proline 0 C--N 1.338 0.079 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -48.22 -33.53 21.97 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 120.989 1.126 . . . . 1.0 110.211 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.13 -20.35 57.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.491 0.587 . . . . 1.0 111.957 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.77 -139.02 5.66 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 119.394 -1.384 . . . . 1.0 112.075 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.12 149.84 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -126.17 137.61 53.59 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.866 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mp -135.05 118.64 16.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.19 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.26 135.35 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.022 -0.99 . . . . 1.0 110.217 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.6 p -76.78 155.05 33.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.676 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -59.16 -27.43 65.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.445 0.64 . . . . 1.0 109.658 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -68.19 -39.52 82.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.809 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.158 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.197 179.813 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -129.84 122.51 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.687 -1.142 . . . . 1.0 110.583 -179.208 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.04 132.85 47.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.715 0.769 . . . . 1.0 112.058 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.9 t -98.09 125.68 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.473 -1.24 . . . . 1.0 110.424 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.461 ' HG1' ' N ' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -123.82 155.44 66.77 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' N ' ' HG1' ' A' ' 15' ' ' THR . 51.4 Cg_exo -47.13 -38.56 25.15 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.551 1.5 . . . . 1.0 110.722 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -74.7 -19.34 60.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.557 0.617 . . . . 1.0 112.356 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.31 -137.4 4.9 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.42 -1.371 . . . . 1.0 111.898 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 pt -133.64 151.71 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.364 0.602 . . . . 1.0 109.577 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -129.67 139.23 51.43 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.109 -0.95 . . . . 1.0 109.65 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.83 125.87 24.42 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.343 -0.543 . . . . 1.0 109.609 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -120.71 136.18 54.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.81 134.57 33.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.825 -1.08 . . . . 1.0 110.071 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.1 m -76.65 151.81 36.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.011 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -54.86 -28.0 46.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.342 0.591 . . . . 1.0 110.248 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.57 -37.73 77.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.361 -0.836 . . . . 1.0 109.843 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.607 -179.897 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.553 0.692 . . . . 1.0 111.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 1.1 t80 -126.86 123.03 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.043 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.16 135.36 46.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.789 0.804 . . . . 1.0 113.109 -178.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -98.94 124.91 52.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 114.408 -1.269 . . . . 1.0 110.1 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 157.96 58.97 Favored Pre-proline 0 C--N 1.341 0.212 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -50.35 -39.18 53.67 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.317 1.345 . . . . 1.0 110.422 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -74.53 -18.89 60.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.651 0.659 . . . . 1.0 111.97 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.27 -137.75 5.09 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 119.576 -1.297 . . . . 1.0 111.375 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.33 152.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -128.71 138.5 52.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.01 -0.996 . . . . 1.0 110.303 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.17 121.39 19.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.522 -0.471 . . . . 1.0 109.937 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -116.6 138.29 51.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.372 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -139.18 132.99 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.714 -1.13 . . . . 1.0 110.463 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 m -75.92 151.23 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.315 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.52 -28.07 58.99 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.551 0.691 . . . . 1.0 109.44 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.26 -38.36 81.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.653 -1.158 . . . . 1.0 109.463 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.148 0.499 . . . . 1.0 110.801 179.339 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.167 0.508 . . . . 1.0 110.458 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.0 122.43 35.87 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.131 -0.94 . . . . 1.0 110.995 -178.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.51 130.82 49.84 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.53 0.681 . . . . 1.0 111.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -96.74 125.37 49.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.859 -1.064 . . . . 1.0 110.87 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -121.63 150.19 54.58 Favored Pre-proline 0 C--N 1.34 0.171 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -45.4 -35.91 12.49 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.051 1.167 . . . . 1.0 110.08 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.11 -19.37 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.557 0.617 . . . . 1.0 112.543 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.4 -138.83 5.73 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 119.635 -1.269 . . . . 1.0 111.17 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -133.72 149.58 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 121.395 0.617 . . . . 1.0 109.6 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -119.56 135.61 54.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.911 -1.04 . . . . 1.0 109.135 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -132.4 119.55 20.83 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -119.68 135.75 54.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.91 137.86 36.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.196 -0.911 . . . . 1.0 110.797 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -76.81 154.81 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.673 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -57.74 -29.71 64.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.612 0.72 . . . . 1.0 110.211 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.1 -38.22 82.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.731 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.178 179.604 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 121.316 0.579 . . . . 1.0 110.811 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.46 122.43 37.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.632 -1.167 . . . . 1.0 110.183 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -128.1 131.59 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 1.0 111.52 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.56 124.17 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.463 -1.244 . . . . 1.0 110.549 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.404 ' OG1' ' OD1' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -115.85 156.68 46.21 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 108.467 -0.938 . . . . 1.0 108.467 178.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -23.13 59.52 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 121.396 1.397 . . . . 1.0 109.137 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 34.3 p30 -85.07 -17.95 35.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.151 0.432 . . . . 1.0 111.432 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 162.28 -139.64 6.08 Favored Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.748 -1.215 . . . . 1.0 111.926 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.2 pt -131.37 149.54 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.435 0.636 . . . . 1.0 109.483 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -124.67 134.23 52.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.559 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 mt -131.51 121.67 24.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.326 -0.991 . . . . 1.0 108.326 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -122.02 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -138.23 133.23 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.164 -0.925 . . . . 1.0 110.65 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.4 p -74.27 154.11 39.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 1.0 110.38 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -56.76 -27.29 59.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.347 0.594 . . . . 1.0 110.417 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.12 -39.58 82.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.393 -0.822 . . . . 1.0 109.292 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.193 179.708 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 121.547 0.689 . . . . 1.0 112.364 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -124.71 121.11 33.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.762 179.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 131.3 51.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.515 0.674 . . . . 1.0 111.662 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 p -97.37 123.84 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.094 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.0 156.29 56.93 Favored Pre-proline 0 N--CA 1.456 -0.134 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -50.25 -34.88 41.59 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 121.296 1.331 . . . . 1.0 110.009 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -76.25 -19.3 58.47 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.443 0.565 . . . . 1.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.84 -137.53 4.93 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 119.606 -1.283 . . . . 1.0 111.686 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.9 pt -133.84 150.68 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.0 t0 -125.44 138.84 54.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.717 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.489 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 76.6 mt -133.79 119.73 19.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.681 -0.859 . . . . 1.0 108.681 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -116.53 136.95 52.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.276 0.56 . . . . 1.0 110.675 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -136.98 134.33 36.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.968 -1.014 . . . . 1.0 109.305 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.8 p -80.75 153.69 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.953 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -60.35 -29.28 68.81 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.26 -37.41 80.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.614 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 109.809 179.209 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 120.847 0.356 . . . . 1.0 110.353 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -124.1 121.68 35.81 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.366 -0.834 . . . . 1.0 109.855 -179.6 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.9 133.35 46.81 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.805 0.812 . . . . 1.0 112.439 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -97.52 123.93 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.198 -1.365 . . . . 1.0 109.701 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.47 155.95 68.19 Favored Pre-proline 0 C--N 1.339 0.135 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -48.45 -34.52 26.0 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 121.535 1.49 . . . . 1.0 111.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.73 -17.34 57.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 119.014 0.825 . . . . 1.0 112.192 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.55 -136.28 4.43 Favored Glycine 0 C--N 1.342 0.874 0 C-N-CA 119.937 -1.125 . . . . 1.0 111.228 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -132.75 153.07 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 59.6 t0 -129.84 138.3 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.085 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -137.13 121.46 18.12 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -119.3 136.09 54.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.314 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.598 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -135.68 132.53 37.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.81 -1.086 . . . . 1.0 109.413 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -75.76 151.78 37.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 1.0 110.462 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -55.83 -27.45 51.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.78 0.8 . . . . 1.0 109.743 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.25 -38.19 78.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.785 -1.098 . . . . 1.0 109.478 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.143 179.414 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 121.372 0.606 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -122.83 121.99 37.57 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.566 -1.197 . . . . 1.0 110.276 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.402 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -128.13 131.36 48.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.672 0.748 . . . . 1.0 110.92 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -97.12 123.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.355 -1.293 . . . . 1.0 110.032 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.408 ' OG1' ' OD1' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -122.92 151.94 61.96 Favored Pre-proline 0 CA--C 1.518 -0.281 0 C-N-CA 120.411 -0.516 . . . . 1.0 109.902 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.58 -36.06 23.85 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.196 1.264 . . . . 1.0 110.518 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 36.4 p30 -72.72 -22.08 60.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.614 0.366 . . . . 1.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.86 -137.72 5.03 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 119.733 -1.223 . . . . 1.0 111.151 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.2 pt -132.71 152.42 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.401 0.62 . . . . 1.0 109.458 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 50.8 t0 -127.56 137.09 52.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.086 -0.961 . . . . 1.0 110.208 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.3 mt -133.58 121.68 22.43 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -122.6 137.46 54.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.159 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.15 133.84 30.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.868 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -72.89 149.34 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.594 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -55.12 -28.06 49.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.28 0.562 . . . . 1.0 110.131 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.58 -36.11 80.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.412 -0.813 . . . . 1.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.823 179.745 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 121.03 0.443 . . . . 1.0 109.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -127.14 121.77 32.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.852 -179.247 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -129.21 131.64 47.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.644 0.735 . . . . 1.0 112.059 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.4 p -97.17 124.86 50.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.099 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.93 158.81 56.25 Favored Pre-proline 0 CA--C 1.519 -0.233 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.033 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.33 -38.18 51.85 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.171 1.247 . . . . 1.0 110.33 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.92 -17.54 59.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.537 0.569 . . . . 1.0 112.537 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.57 -138.81 5.71 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 119.76 -1.21 . . . . 1.0 111.342 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 pt -132.83 150.46 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 66.8 t0 -128.5 139.1 52.5 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 114.951 -1.022 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -134.57 120.61 19.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.442 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -120.04 138.03 53.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 1.0 111.364 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.39 137.12 32.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.449 -0.9 . . . . 1.0 111.07 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 m -76.67 148.66 36.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.468 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -54.62 -26.45 32.83 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.757 -0.831 . . . . 1.0 108.757 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.52 -38.12 83.78 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.122 -0.945 . . . . 1.0 109.743 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.161 0 CA-C-O 121.207 0.527 . . . . 1.0 110.377 179.462 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.019 0.438 . . . . 1.0 110.076 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.9 122.08 36.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.516 -179.322 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 132.3 47.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.624 0.726 . . . . 1.0 112.055 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -97.56 124.93 50.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.606 -1.179 . . . . 1.0 109.959 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.69 155.47 63.04 Favored Pre-proline 0 N--CA 1.456 -0.128 0 N-CA-C 109.521 -0.548 . . . . 1.0 109.521 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -49.38 -36.01 37.21 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 121.25 1.3 . . . . 1.0 110.346 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -75.89 -18.98 59.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 118.502 0.592 . . . . 1.0 112.076 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.61 -138.59 5.51 Favored Glycine 0 C--N 1.338 0.655 0 C-N-CA 119.572 -1.299 . . . . 1.0 111.621 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.3 pt -132.85 149.69 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -121.81 134.95 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.461 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -131.12 120.34 23.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.221 -1.029 . . . . 1.0 108.221 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.89 138.15 54.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 111.487 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -139.99 134.97 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.611 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -75.9 150.61 37.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.207 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.84 -27.16 62.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.58 0.705 . . . . 1.0 109.478 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.87 -34.48 75.53 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.093 -0.958 . . . . 1.0 109.461 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 122.993 1.378 . . . . 1.0 108.493 -179.265 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 120.952 0.406 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -123.13 122.35 38.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.286 -0.87 . . . . 1.0 110.205 -179.471 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 131.79 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.403 0.62 . . . . 1.0 112.343 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -96.69 124.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.451 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.51 155.57 54.14 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -25.37 55.38 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 121.229 1.286 . . . . 1.0 109.789 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -83.64 -18.42 38.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 118.578 0.626 . . . . 1.0 110.623 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.81 -138.57 5.48 Favored Glycine 0 C--N 1.342 0.89 0 C-N-CA 119.959 -1.115 . . . . 1.0 111.583 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 pt -131.2 149.92 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -128.31 139.82 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.468 -0.787 . . . . 1.0 109.756 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.87 121.53 17.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.459 -0.497 . . . . 1.0 109.716 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -117.22 137.28 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.904 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -140.02 134.8 31.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.148 -0.933 . . . . 1.0 110.8 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 p -75.52 154.66 36.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.794 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -58.24 -26.91 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.623 0.725 . . . . 1.0 109.511 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -68.28 -39.36 82.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.597 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 121.641 0.734 . . . . 1.0 110.137 179.586 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 121.307 0.575 . . . . 1.0 110.618 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -126.07 120.98 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.596 -1.184 . . . . 1.0 110.289 -179.339 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.28 132.29 47.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.765 0.793 . . . . 1.0 111.59 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -97.15 126.28 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.45 -1.25 . . . . 1.0 110.662 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -122.16 153.02 61.19 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -50.08 -29.14 21.15 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.211 1.274 . . . . 1.0 110.622 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.1 -16.82 45.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.009 0.822 . . . . 1.0 111.661 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.45 -139.75 6.13 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.425 -1.369 . . . . 1.0 111.749 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 pt -132.98 152.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 61.9 t0 -129.75 138.33 51.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.422 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 80.1 mt -132.88 121.96 23.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 178.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -119.88 135.6 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.582 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mp -138.95 135.73 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.932 -1.031 . . . . 1.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -76.57 151.74 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.031 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -57.73 -27.35 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.704 0.764 . . . . 1.0 109.296 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -68.3 -38.34 81.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.67 -1.15 . . . . 1.0 109.857 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.072 179.576 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.624 0.726 . . . . 1.0 112.053 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.43 120.39 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.328 -1.305 . . . . 1.0 109.329 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 132.56 46.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.865 0.841 . . . . 1.0 112.408 -179.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -97.18 125.38 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.82 153.95 73.4 Favored Pre-proline 0 C--N 1.34 0.196 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.85 -37.02 20.94 Favored 'Trans proline' 0 C--N 1.317 -1.132 0 C-N-CA 121.349 1.366 . . . . 1.0 110.553 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 48.6 p30 -71.44 -23.8 61.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.722 -0.611 . . . . 1.0 111.779 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.17 -136.27 4.35 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 119.905 -1.14 . . . . 1.0 111.137 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.3 pt -132.9 152.31 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -125.28 138.62 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.87 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -134.74 120.5 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.53 135.48 54.38 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.681 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -135.32 133.16 38.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.572 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -76.11 149.88 37.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.437 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -56.82 -26.89 59.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.957 0.884 . . . . 1.0 108.93 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.48 -38.62 81.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.582 -1.19 . . . . 1.0 109.61 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.064 179.699 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 121.102 0.477 . . . . 1.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.74 122.78 37.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.944 -1.026 . . . . 1.0 110.217 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.12 132.45 47.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.62 0.724 . . . . 1.0 111.957 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -97.1 124.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.497 -1.228 . . . . 1.0 110.073 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.84 156.67 61.76 Favored Pre-proline 0 N--CA 1.457 -0.115 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -49.79 -36.36 42.15 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 121.314 1.343 . . . . 1.0 110.427 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -75.93 -18.76 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.499 0.59 . . . . 1.0 111.978 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.88 -138.13 5.32 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 119.57 -1.3 . . . . 1.0 111.456 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.34 149.47 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 121.402 0.62 . . . . 1.0 109.336 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -124.36 138.28 54.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.454 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp -136.23 121.63 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -119.21 138.22 53.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.8 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.74 135.72 31.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.565 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.8 p -76.18 153.43 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.723 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -55.89 -28.18 55.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.507 0.67 . . . . 1.0 109.833 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.73 -35.23 76.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.922 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 121.257 0.551 . . . . 1.0 109.967 179.376 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 . . . . . 0 N--CA 1.462 0.142 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.1 122.23 36.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.56 135.98 46.29 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.05 126.09 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.783 -1.099 . . . . 1.0 110.267 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.97 156.17 66.17 Favored Pre-proline 0 C--N 1.339 0.13 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.13 -36.46 36.18 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.482 1.455 . . . . 1.0 110.749 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -76.93 -17.57 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.062 0.846 . . . . 1.0 111.613 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.96 -137.41 4.93 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 119.315 -1.422 . . . . 1.0 110.959 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.2 pt -137.68 154.18 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.325 0.583 . . . . 1.0 109.614 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -129.54 140.42 51.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.847 -1.07 . . . . 1.0 110.732 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.04 124.63 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.78 -0.452 . . . . 1.0 109.78 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -124.33 142.42 51.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.391 0.615 . . . . 1.0 111.384 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pp -142.66 135.69 28.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.862 -1.063 . . . . 1.0 110.206 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 p -77.91 154.93 31.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -57.85 -29.02 64.65 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.849 0.833 . . . . 1.0 110.249 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -67.43 -39.51 85.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.509 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.969 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 121.384 0.612 . . . . 1.0 111.17 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.48 120.95 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.624 -1.171 . . . . 1.0 109.67 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 132.62 46.96 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.646 0.736 . . . . 1.0 111.972 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -97.4 125.24 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.533 -1.212 . . . . 1.0 109.784 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.413 ' HG1' ' H ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -122.67 154.8 63.56 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -48.22 -37.19 30.99 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 121.234 1.29 . . . . 1.0 110.164 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' H ' ' HG1' ' A' ' 15' ' ' THR . 97.5 m-20 -73.73 -19.52 60.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.367 0.531 . . . . 1.0 112.009 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.01 -138.48 5.49 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 119.547 -1.311 . . . . 1.0 111.718 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.5 pt -132.67 150.1 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -125.92 137.52 53.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.12 -0.946 . . . . 1.0 109.798 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.7 mt -132.51 122.71 25.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.087 -0.709 . . . . 1.0 109.087 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -124.76 138.72 54.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.416 0.626 . . . . 1.0 111.962 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.32 131.67 28.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.692 -1.14 . . . . 1.0 109.781 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -75.69 145.62 40.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.997 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -53.79 -26.44 23.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.717 0.77 . . . . 1.0 109.248 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.02 -37.66 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.037 . . . . 1.0 109.759 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 121.513 0.673 . . . . 1.0 109.607 179.724 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--O 1.228 -0.068 0 CA-C-O 120.696 0.284 . . . . 1.0 110.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -124.74 123.11 39.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.261 -179.499 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.4 133.59 44.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.913 0.863 . . . . 1.0 112.572 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 p -98.61 123.55 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.125 -1.398 . . . . 1.0 110.048 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.61 156.82 60.9 Favored Pre-proline 0 C--N 1.338 0.085 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -49.31 -35.07 33.91 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.46 1.44 . . . . 1.0 110.726 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -77.21 -19.63 56.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 118.286 0.494 . . . . 1.0 112.172 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.37 -139.16 5.77 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 119.615 -1.279 . . . . 1.0 111.917 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.87 152.05 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -131.23 138.98 49.59 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.23 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.77 117.55 15.09 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.65 -0.42 . . . . 1.0 109.992 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -112.18 138.08 49.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.72 -0.673 . . . . 1.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.19 132.71 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.429 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 m -74.18 149.95 40.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.614 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -57.77 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.708 . . . . 1.0 109.351 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.72 -37.65 82.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.167 179.594 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 121.02 0.438 . . . . 1.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.69 122.66 36.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.459 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.88 128.72 45.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.242 0.544 . . . . 1.0 112.399 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -97.73 125.76 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.314 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.95 158.74 56.52 Favored Pre-proline 0 C--O 1.233 0.216 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -51.13 -35.48 51.85 Favored 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.466 1.444 . . . . 1.0 110.183 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -75.84 -20.94 57.75 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.75 0.648 . . . . 1.0 112.75 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.67 -139.26 5.77 Favored Glycine 0 C--O 1.228 -0.274 0 C-N-CA 119.195 -1.478 . . . . 1.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.4 150.65 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.816 -0.809 . . . . 1.0 108.816 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -127.19 140.14 52.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.795 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.61 121.41 17.54 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -112.31 138.63 48.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.764 -0.653 . . . . 1.0 109.961 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -137.06 132.43 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.404 -0.816 . . . . 1.0 109.395 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 p -79.25 146.0 33.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.307 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -57.29 -27.18 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 1.0 109.552 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.27 -35.92 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.889 -1.051 . . . . 1.0 109.899 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.103 0 CA-C-O 121.362 0.601 . . . . 1.0 109.976 179.572 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' NE2' HH21 ' A' ' 22' ' ' ARG . 58.9 tt0 . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.363 0.601 . . . . 1.0 110.997 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -128.69 121.72 29.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.659 -1.155 . . . . 1.0 109.948 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 132.76 47.24 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.547 0.689 . . . . 1.0 112.188 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -97.01 124.73 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 CA-C-N 114.928 -1.033 . . . . 1.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.3 40.73 Favored Pre-proline 0 CA--C 1.515 -0.386 0 N-CA-C 109.065 -0.717 . . . . 1.0 109.065 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.54 -27.28 81.89 Favored 'Trans proline' 0 C--N 1.299 -2.027 0 C-N-CA 121.497 1.465 . . . . 1.0 109.433 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -83.47 -17.34 42.35 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.391 0.541 . . . . 1.0 111.477 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.94 -139.29 5.88 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 119.706 -1.235 . . . . 1.0 111.518 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -132.2 151.48 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.4 t0 -129.17 138.54 51.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.554 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -136.79 125.91 24.55 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.458 HH21 ' NE2' ' A' ' 11' ' ' GLN . 90.0 mtm180 -124.7 138.38 54.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.776 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -138.94 133.78 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.902 -1.045 . . . . 1.0 109.996 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -75.85 151.51 37.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.06 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -56.97 -28.08 61.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.614 0.721 . . . . 1.0 109.431 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.38 -37.73 80.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.973 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 121.363 0.602 . . . . 1.0 109.955 179.686 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.78 141.44 55.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.341 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -133.94 150.53 51.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.231 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.55 91.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 1.0 110.598 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 8' ' ' VAL . 13.0 m-70 -61.36 -42.54 98.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.947 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -67.34 -40.93 85.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.099 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.05 93.51 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.151 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 5' ' ' HIS . 46.6 t -124.04 130.43 73.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.997 0.427 . . . . 1.0 111.224 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.21 -17.82 11.27 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.684 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -137.94 132.72 32.79 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.044 -0.663 . . . . 1.0 112.281 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -129.81 131.75 46.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.101 0.477 . . . . 1.0 110.347 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.91 123.16 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.774 -1.103 . . . . 1.0 109.723 -179.329 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -130.51 132.76 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.535 0.684 . . . . 1.0 111.804 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -96.77 125.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.644 -1.162 . . . . 1.0 109.362 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.68 155.77 62.57 Favored Pre-proline 0 N--CA 1.451 -0.415 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -50.03 -36.62 45.28 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 121.32 1.347 . . . . 1.0 110.104 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -75.12 -19.61 59.83 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 118.097 0.408 . . . . 1.0 112.034 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.09 -137.99 5.22 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 119.681 -1.247 . . . . 1.0 111.32 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 pt -132.41 150.2 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.6 t0 -128.3 138.36 52.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.195 -0.911 . . . . 1.0 109.511 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.498 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.8 mp -136.28 124.63 23.32 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -119.89 137.32 54.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.904 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -137.59 135.43 36.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.77 -1.104 . . . . 1.0 110.591 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -78.42 152.24 32.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.402 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -56.49 -28.54 60.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.559 0.695 . . . . 1.0 109.729 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.39 -37.82 80.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.888 -1.051 . . . . 1.0 110.445 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.36 -32.93 73.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.361 0.6 . . . . 1.0 110.086 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.4 mt -69.47 -40.06 77.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.041 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -62.34 -40.15 95.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.255 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -69.06 -42.94 75.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 1.0 110.48 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.22 -44.92 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.557 -0.747 . . . . 1.0 112.491 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.19 -47.86 80.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 120.168 1.349 . . . . 1.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.86 -43.52 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.2 m -58.92 -35.71 73.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.2 0.524 . . . . 1.0 110.299 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.25 -37.9 59.15 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.498 -1.041 . . . . 1.0 110.498 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.72 -38.47 75.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.238 0.542 . . . . 1.0 110.118 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -75.32 -32.16 60.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.148 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.5 m -61.1 -45.06 96.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.218 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -67.86 -34.86 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.448 -0.501 . . . . 1.0 109.98 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -69.43 140.72 54.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -74.05 141.62 45.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.673 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.955 -1.021 . . . . 1.0 109.819 179.466 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.23 93.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.056 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 54.16 30.85 12.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.693 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.71 144.35 49.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.986 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -109.77 140.46 43.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.676 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 44.28 86.79 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.523 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.44 147.98 28.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 1.0 110.795 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.8 t -123.64 136.58 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.352 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.68 75.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.217 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.643 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -142.62 140.64 31.72 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.533 0.938 . . . . 1.0 113.533 -179.495 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -131.8 133.85 45.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.069 0.462 . . . . 1.0 110.315 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.46 122.43 36.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.52 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.04 132.56 49.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.434 0.635 . . . . 1.0 112.268 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.0 t -98.76 125.66 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.023 -0.989 . . . . 1.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -122.8 152.12 61.87 Favored Pre-proline 0 C--N 1.338 0.079 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -48.22 -33.53 21.97 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 120.989 1.126 . . . . 1.0 110.211 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.13 -20.35 57.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.491 0.587 . . . . 1.0 111.957 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.77 -139.02 5.66 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 119.394 -1.384 . . . . 1.0 112.075 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.12 149.84 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -126.17 137.61 53.59 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.866 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mp -135.05 118.64 16.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.19 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.26 135.35 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.022 -0.99 . . . . 1.0 110.217 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.6 p -76.78 155.05 33.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.676 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -59.16 -27.43 65.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.445 0.64 . . . . 1.0 109.658 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -68.19 -39.52 82.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.809 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.75 72.88 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.197 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt -70.16 -39.24 75.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.309 -0.859 . . . . 1.0 110.652 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.69 -39.27 93.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.79 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -69.68 -43.41 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.994 0.361 . . . . 1.0 110.483 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.22 -45.61 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 118.94 -0.552 . . . . 1.0 112.159 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -62.85 -49.49 74.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 119.855 1.207 . . . . 1.0 111.139 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.35 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.693 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.1 t -60.39 -36.78 78.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.228 0.537 . . . . 1.0 109.767 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.52 -36.04 59.13 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.226 -1.15 . . . . 1.0 110.226 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.47 -38.16 83.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.37 -0.415 . . . . 1.0 110.482 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' LYS . 96.3 m-70 -75.71 -31.46 59.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.714 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 m -62.18 -44.73 95.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.618 -0.719 . . . . 1.0 109.828 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.2 t90 -67.67 -35.94 79.79 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.864 -0.334 . . . . 1.0 110.867 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' HIS . 88.5 tttt -136.34 133.01 36.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 1.0 111.237 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -74.85 131.12 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.336 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.259 -179.664 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mmm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.09 96.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -115.97 135.37 54.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.796 0.332 . . . . 1.0 110.403 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.7 88.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.35 -0.386 . . . . 1.0 109.969 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -100.76 131.41 46.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.587 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -68.53 130.92 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.158 0.504 . . . . 1.0 110.601 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.9 -9.44 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.4 t -124.9 133.87 68.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.469 0.652 . . . . 1.0 111.239 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.64 66.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.103 -0.953 . . . . 1.0 110.768 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 2.5 t80 -134.64 129.17 34.46 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.703 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 56.0 tt0 -130.84 135.45 47.74 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 1.0 110.998 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -129.84 122.51 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.687 -1.142 . . . . 1.0 110.583 -179.208 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.04 132.85 47.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.715 0.769 . . . . 1.0 112.058 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.9 t -98.09 125.68 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.473 -1.24 . . . . 1.0 110.424 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.461 ' HG1' ' N ' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -123.82 155.44 66.77 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' N ' ' HG1' ' A' ' 15' ' ' THR . 51.4 Cg_exo -47.13 -38.56 25.15 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.551 1.5 . . . . 1.0 110.722 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -74.7 -19.34 60.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.557 0.617 . . . . 1.0 112.356 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.31 -137.4 4.9 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.42 -1.371 . . . . 1.0 111.898 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 pt -133.64 151.71 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.364 0.602 . . . . 1.0 109.577 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -129.67 139.23 51.43 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.109 -0.95 . . . . 1.0 109.65 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.83 125.87 24.42 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.343 -0.543 . . . . 1.0 109.609 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -120.71 136.18 54.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.81 134.57 33.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.825 -1.08 . . . . 1.0 110.071 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.1 m -76.65 151.81 36.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.011 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -54.86 -28.0 46.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.342 0.591 . . . . 1.0 110.248 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.57 -37.73 77.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.361 -0.836 . . . . 1.0 109.843 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.18 -35.52 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.607 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.38 -39.74 77.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.036 -0.984 . . . . 1.0 110.46 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -64.06 -38.77 92.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.946 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -70.09 -41.74 73.64 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 118.839 0.745 . . . . 1.0 109.524 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.87 -46.27 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.122 -0.945 . . . . 1.0 112.105 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -61.61 -48.44 80.89 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 119.864 1.211 . . . . 1.0 110.792 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.71 -43.09 97.6 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.718 -0.393 . . . . 1.0 111.188 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.9 p -59.97 -34.5 73.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.135 0.493 . . . . 1.0 110.265 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.12 -36.0 56.89 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 110.58 -1.008 . . . . 1.0 110.58 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.2 tp -59.43 -38.82 81.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.052 0.453 . . . . 1.0 110.746 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -75.38 -33.38 61.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.394 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -60.61 -45.5 93.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.496 -0.775 . . . . 1.0 110.362 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -67.54 -35.72 79.62 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.092 -0.643 . . . . 1.0 110.477 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -76.4 132.49 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.758 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.87 136.81 33.96 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 117.895 -1.05 . . . . 1.0 109.86 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.52 148.94 46.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.557 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 56.6 mp0 -62.0 -37.45 84.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.89 67.58 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.908 -0.317 . . . . 1.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -65.21 -39.76 93.24 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.82 -0.352 . . . . 1.0 110.267 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' OE1' ' OE1' ' A' ' 26' ' ' GLU . 88.2 mt-30 -88.95 28.2 1.22 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.332 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.69 -25.21 53.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.54 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.5 t -113.38 130.13 67.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.564 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.73 -19.39 5.78 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.656 0.265 . . . . 1.0 111.306 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 1.8 t80 -131.97 128.81 39.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.511 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 88.2 mm-40 -132.11 133.93 44.87 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.553 0.692 . . . . 1.0 111.46 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 1.1 t80 -126.86 123.03 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.043 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.16 135.36 46.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.789 0.804 . . . . 1.0 113.109 -178.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -98.94 124.91 52.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 114.408 -1.269 . . . . 1.0 110.1 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 157.96 58.97 Favored Pre-proline 0 C--N 1.341 0.212 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -50.35 -39.18 53.67 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.317 1.345 . . . . 1.0 110.422 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -74.53 -18.89 60.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.651 0.659 . . . . 1.0 111.97 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.27 -137.75 5.09 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 119.576 -1.297 . . . . 1.0 111.375 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.33 152.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -128.71 138.5 52.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.01 -0.996 . . . . 1.0 110.303 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.17 121.39 19.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.522 -0.471 . . . . 1.0 109.937 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -116.6 138.29 51.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.372 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -139.18 132.99 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.714 -1.13 . . . . 1.0 110.463 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 m -75.92 151.23 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.315 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.52 -28.07 58.99 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.551 0.691 . . . . 1.0 109.44 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' OE1' ' OE1' ' A' ' 6' ' ' GLN . 97.1 mt-10 -68.26 -38.36 81.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.653 -1.158 . . . . 1.0 109.463 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.84 -33.13 73.6 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.148 0.499 . . . . 1.0 110.801 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.14 -38.19 75.46 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.8 -37.17 86.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.932 -0.576 . . . . 1.0 111.175 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -71.45 -41.55 69.31 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -64.15 -46.28 94.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.614 -0.721 . . . . 1.0 112.067 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.9 -48.19 77.6 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 119.965 1.257 . . . . 1.0 110.831 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' ND1' ' A' ' 37' ' ' HIS . 93.1 mt -62.11 -43.32 99.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.5 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.1 p -61.1 -34.82 75.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.312 0.577 . . . . 1.0 110.44 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.36 -38.49 62.49 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.395 -1.082 . . . . 1.0 110.395 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.27 -37.31 82.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.087 0.47 . . . . 1.0 110.575 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 33' ' ' LEU . 72.0 m80 -74.44 -33.17 62.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.588 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.3 m -62.29 -45.78 91.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.224 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -67.51 -35.12 78.49 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.085 -0.646 . . . . 1.0 110.295 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -76.99 144.92 38.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.016 0.436 . . . . 1.0 110.625 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.62 131.77 46.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 118.101 -0.952 . . . . 1.0 110.426 -179.608 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.44 145.41 35.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.427 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.42 -15.34 63.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.9 99.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.566 -0.454 . . . . 1.0 110.338 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' VAL . 95.4 m-70 -66.09 -40.35 90.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.981 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -67.53 -38.5 84.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.879 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.58 -38.67 88.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.097 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' HIS . 3.4 m -117.63 128.84 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.845 0.355 . . . . 1.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.67 -22.98 12.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.0 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.581 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -137.88 132.69 32.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.198 -0.91 . . . . 1.0 111.971 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -128.9 133.89 48.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.167 0.508 . . . . 1.0 110.458 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.0 122.43 35.87 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.131 -0.94 . . . . 1.0 110.995 -178.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.51 130.82 49.84 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.53 0.681 . . . . 1.0 111.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -96.74 125.37 49.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.859 -1.064 . . . . 1.0 110.87 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -121.63 150.19 54.58 Favored Pre-proline 0 C--N 1.34 0.171 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -45.4 -35.91 12.49 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.051 1.167 . . . . 1.0 110.08 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.11 -19.37 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.557 0.617 . . . . 1.0 112.543 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.4 -138.83 5.73 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 119.635 -1.269 . . . . 1.0 111.17 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -133.72 149.58 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 121.395 0.617 . . . . 1.0 109.6 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -119.56 135.61 54.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.911 -1.04 . . . . 1.0 109.135 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -132.4 119.55 20.83 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -119.68 135.75 54.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.91 137.86 36.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.196 -0.911 . . . . 1.0 110.797 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -76.81 154.81 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.673 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -57.74 -29.71 64.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.612 0.72 . . . . 1.0 110.211 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.1 -38.22 82.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.731 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.87 73.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.178 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.6 -39.54 77.18 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.776 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.09 -39.21 91.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.945 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -72.43 -44.41 62.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.144 0.497 . . . . 1.0 109.712 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.9 -44.95 98.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.393 -0.821 . . . . 1.0 111.986 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.21 -50.11 73.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 120.0 1.273 . . . . 1.0 110.476 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.06 -43.75 98.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.498 ' HG ' ' N ' ' A' ' 35' ' ' GLY . 96.1 p -58.58 -35.26 72.11 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.457 -0.572 . . . . 1.0 109.457 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.498 ' N ' ' HG ' ' A' ' 34' ' ' SER . . . -72.51 -39.06 57.3 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.48 -1.048 . . . . 1.0 110.48 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.23 -38.04 79.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.012 0.434 . . . . 1.0 110.847 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -75.51 -32.46 60.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.73 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 m -65.6 -42.85 91.19 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.295 -0.412 . . . . 1.0 111.042 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -68.1 -20.45 64.93 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.516 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 53.39 67.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.314 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.32 132.87 54.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.016 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.918 -1.039 . . . . 1.0 111.123 -179.347 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.56 35.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.963 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 51.12 30.9 5.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.49 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.19 144.36 43.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.994 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -144.29 131.96 21.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.184 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -132.25 89.21 2.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.025 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.2 166.21 6.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.721 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.86 130.25 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.706 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.34 -46.13 64.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.652 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 1.6 t80 -140.38 127.66 21.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.696 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 58.9 tt0 -129.14 134.61 48.12 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.316 0.579 . . . . 1.0 110.811 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.46 122.43 37.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.632 -1.167 . . . . 1.0 110.183 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -128.1 131.59 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 1.0 111.52 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.56 124.17 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.463 -1.244 . . . . 1.0 110.549 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.404 ' OG1' ' OD1' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -115.85 156.68 46.21 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 108.467 -0.938 . . . . 1.0 108.467 178.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -23.13 59.52 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 121.396 1.397 . . . . 1.0 109.137 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 34.3 p30 -85.07 -17.95 35.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.151 0.432 . . . . 1.0 111.432 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 162.28 -139.64 6.08 Favored Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.748 -1.215 . . . . 1.0 111.926 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.2 pt -131.37 149.54 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.435 0.636 . . . . 1.0 109.483 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -124.67 134.23 52.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.559 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 mt -131.51 121.67 24.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.326 -0.991 . . . . 1.0 108.326 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -122.02 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -138.23 133.23 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.164 -0.925 . . . . 1.0 110.65 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.4 p -74.27 154.11 39.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 1.0 110.38 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -56.76 -27.29 59.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.347 0.594 . . . . 1.0 110.417 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.12 -39.58 82.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.393 -0.822 . . . . 1.0 109.292 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.06 69.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.193 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.37 -39.8 71.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.752 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.0 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.292 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -70.63 -41.27 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.175 0.443 . . . . 1.0 109.977 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.32 -45.91 94.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 118.907 -0.568 . . . . 1.0 112.13 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.5 -49.38 75.6 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 120.091 1.314 . . . . 1.0 111.176 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.17 -42.95 99.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.288 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.6 t -59.6 -37.93 79.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.247 0.546 . . . . 1.0 110.577 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.74 -35.91 66.65 Favored Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.361 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.98 -37.15 81.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.874 0.368 . . . . 1.0 111.391 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -74.45 -33.24 62.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.989 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.4 m -62.58 -45.38 93.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.446 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -67.6 -35.92 79.89 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.336 -0.546 . . . . 1.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -83.62 142.82 30.54 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.801 0.334 . . . . 1.0 111.072 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.82 155.41 19.18 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.657 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.975 -1.012 . . . . 1.0 110.715 -179.613 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.699 -0.852 . . . . 1.0 108.699 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.14 148.76 47.07 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.686 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -113.99 121.97 45.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.716 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.64 148.78 44.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -123.41 140.68 52.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.027 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.73 -39.29 93.38 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.616 -0.434 . . . . 1.0 110.521 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.04 143.74 50.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.088 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -125.35 131.91 71.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.137 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.26 -14.58 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.064 0.459 . . . . 1.0 110.674 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.616 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -138.75 127.21 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.63 -0.714 . . . . 1.0 111.908 -179.399 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -132.4 134.09 44.71 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.547 0.689 . . . . 1.0 112.364 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -124.71 121.11 33.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.762 179.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 131.3 51.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.515 0.674 . . . . 1.0 111.662 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 p -97.37 123.84 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.094 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.0 156.29 56.93 Favored Pre-proline 0 N--CA 1.456 -0.134 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -50.25 -34.88 41.59 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 121.296 1.331 . . . . 1.0 110.009 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -76.25 -19.3 58.47 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.443 0.565 . . . . 1.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.84 -137.53 4.93 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 119.606 -1.283 . . . . 1.0 111.686 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.9 pt -133.84 150.68 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.0 t0 -125.44 138.84 54.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.717 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.489 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 76.6 mt -133.79 119.73 19.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.681 -0.859 . . . . 1.0 108.681 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -116.53 136.95 52.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.276 0.56 . . . . 1.0 110.675 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -136.98 134.33 36.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.968 -1.014 . . . . 1.0 109.305 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.8 p -80.75 153.69 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.953 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -60.35 -29.28 68.81 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.26 -37.41 80.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.614 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.18 72.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 109.809 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.44 -40.27 70.49 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.316 -0.856 . . . . 1.0 110.818 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -61.75 -39.79 92.85 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.716 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.62 -42.31 74.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.24 0.473 . . . . 1.0 110.384 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 mm -62.92 -46.51 96.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.765 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -61.6 -49.45 76.54 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 119.92 1.236 . . . . 1.0 110.584 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' ND1' ' A' ' 37' ' ' HIS . 91.3 mt -62.91 -44.93 94.74 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.671 -0.412 . . . . 1.0 111.003 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 m -59.87 -35.78 75.54 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.607 0.718 . . . . 1.0 109.523 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.79 -38.34 60.77 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 109.77 -1.332 . . . . 1.0 109.77 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.72 -36.79 79.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.236 0.541 . . . . 1.0 110.578 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 33' ' ' LEU . 80.8 m80 -76.98 -25.03 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.548 . . . . 1.0 109.596 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.4 m -69.52 0.73 4.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.63 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -83.63 -16.76 43.95 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.061 -0.656 . . . . 1.0 110.441 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -114.33 151.64 32.66 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.363 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.57 143.95 27.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.698 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.926 -1.035 . . . . 1.0 110.556 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.11 -0.7 . . . . 1.0 109.11 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' GLU . . . -63.08 -35.62 80.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.408 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' ALA . 77.1 tt0 40.04 98.56 0.0 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.874 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.96 156.93 39.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.22 129.75 52.01 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.289 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 57.02 -158.48 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.304 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.0 143.8 34.66 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.654 -0.419 . . . . 1.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -127.89 135.57 62.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.713 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.05 73.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.717 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -139.39 136.42 34.7 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.312 0.856 . . . . 1.0 113.312 -179.607 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -129.39 129.14 44.34 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.353 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -124.1 121.68 35.81 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.366 -0.834 . . . . 1.0 109.855 -179.6 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.9 133.35 46.81 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.805 0.812 . . . . 1.0 112.439 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -97.52 123.93 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.198 -1.365 . . . . 1.0 109.701 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.47 155.95 68.19 Favored Pre-proline 0 C--N 1.339 0.135 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -48.45 -34.52 26.0 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 121.535 1.49 . . . . 1.0 111.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.73 -17.34 57.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 119.014 0.825 . . . . 1.0 112.192 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.55 -136.28 4.43 Favored Glycine 0 C--N 1.342 0.874 0 C-N-CA 119.937 -1.125 . . . . 1.0 111.228 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -132.75 153.07 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 59.6 t0 -129.84 138.3 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.085 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -137.13 121.46 18.12 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -119.3 136.09 54.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.314 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.598 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -135.68 132.53 37.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.81 -1.086 . . . . 1.0 109.413 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -75.76 151.78 37.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 1.0 110.462 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -55.83 -27.45 51.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.78 0.8 . . . . 1.0 109.743 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.25 -38.19 78.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.785 -1.098 . . . . 1.0 109.478 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.97 -32.52 72.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.143 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.73 -39.26 73.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.25 -0.887 . . . . 1.0 110.674 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.5 ttt-85 -59.92 -42.34 93.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.549 -0.751 . . . . 1.0 110.77 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.73 -41.89 74.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.312 0.506 . . . . 1.0 109.929 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.76 -45.53 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.69 0.626 . . . . 1.0 112.69 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -62.05 -49.35 76.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 119.949 1.249 . . . . 1.0 110.642 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.31 -42.97 99.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.6 m -57.61 -36.59 71.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.193 0.521 . . . . 1.0 110.304 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.47 -38.36 62.12 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.016 -1.234 . . . . 1.0 110.016 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.45 -37.25 82.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.461 . . . . 1.0 111.051 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -76.03 -31.95 59.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.698 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 m -63.06 -44.1 96.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.235 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -67.53 -34.67 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.405 -0.518 . . . . 1.0 110.123 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.13 137.35 58.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.836 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -84.6 137.89 33.03 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.13 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.965 -1.017 . . . . 1.0 110.679 179.695 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ALA . 66.1 mtt . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 108.753 -0.832 . . . . 1.0 108.753 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 53.26 105.28 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.962 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.27 -40.17 81.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.655 . . . . 1.0 111.045 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.31 145.36 56.31 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.862 -0.335 . . . . 1.0 110.43 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -86.68 -15.69 38.82 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.027 0.441 . . . . 1.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.41 -37.57 83.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.71 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.34 144.15 48.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.323 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.37 133.39 69.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.67 -0.695 . . . . 1.0 109.766 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.34 -40.34 74.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.698 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.564 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -143.36 132.32 22.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.845 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -130.17 132.77 46.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.372 0.606 . . . . 1.0 111.105 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -122.83 121.99 37.57 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.566 -1.197 . . . . 1.0 110.276 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.402 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -128.13 131.36 48.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.672 0.748 . . . . 1.0 110.92 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -97.12 123.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.355 -1.293 . . . . 1.0 110.032 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.408 ' OG1' ' OD1' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -122.92 151.94 61.96 Favored Pre-proline 0 CA--C 1.518 -0.281 0 C-N-CA 120.411 -0.516 . . . . 1.0 109.902 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.58 -36.06 23.85 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.196 1.264 . . . . 1.0 110.518 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 36.4 p30 -72.72 -22.08 60.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.614 0.366 . . . . 1.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.86 -137.72 5.03 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 119.733 -1.223 . . . . 1.0 111.151 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.2 pt -132.71 152.42 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.401 0.62 . . . . 1.0 109.458 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 50.8 t0 -127.56 137.09 52.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.086 -0.961 . . . . 1.0 110.208 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.3 mt -133.58 121.68 22.43 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -122.6 137.46 54.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.159 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.15 133.84 30.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.868 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -72.89 149.34 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.594 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -55.12 -28.06 49.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.28 0.562 . . . . 1.0 110.131 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.58 -36.11 80.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.412 -0.813 . . . . 1.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.26 76.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.823 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.3 mp -68.25 -38.58 81.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.891 -1.049 . . . . 1.0 111.066 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -62.01 -42.84 99.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.199 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -69.86 -42.05 74.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.289 0.495 . . . . 1.0 109.778 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.69 -44.75 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.935 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.03 -49.19 75.58 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 119.897 1.226 . . . . 1.0 111.272 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.93 -43.39 98.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.642 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.8 m -59.56 -35.39 74.15 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.295 0.569 . . . . 1.0 109.671 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.85 -39.55 64.89 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.419 -1.072 . . . . 1.0 110.419 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 tp -61.28 -35.82 78.38 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.398 0.618 . . . . 1.0 111.512 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -77.76 -33.42 52.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.111 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.3 m -63.97 -41.81 97.45 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.379 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -66.81 -36.06 81.51 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.018 -0.673 . . . . 1.0 109.617 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -83.71 141.31 31.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.613 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -92.23 143.78 26.07 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.365 -0.826 . . . . 1.0 110.943 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.187 0.518 . . . . 1.0 109.969 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.29 140.06 58.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.498 -0.774 . . . . 1.0 110.631 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.19 -28.64 69.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.823 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.52 83.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.059 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -67.77 -44.95 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.585 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -123.14 127.72 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.38 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.07 148.79 48.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.137 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 p -128.07 133.66 66.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.034 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.63 -16.25 10.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.648 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -141.42 131.29 24.38 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.189 -179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -127.84 134.35 49.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.03 0.443 . . . . 1.0 109.889 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -127.14 121.77 32.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.852 -179.247 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -129.21 131.64 47.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.644 0.735 . . . . 1.0 112.059 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.4 p -97.17 124.86 50.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.099 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.93 158.81 56.25 Favored Pre-proline 0 CA--C 1.519 -0.233 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.033 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.33 -38.18 51.85 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.171 1.247 . . . . 1.0 110.33 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.92 -17.54 59.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.537 0.569 . . . . 1.0 112.537 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.57 -138.81 5.71 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 119.76 -1.21 . . . . 1.0 111.342 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 pt -132.83 150.46 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 66.8 t0 -128.5 139.1 52.5 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 114.951 -1.022 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -134.57 120.61 19.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.442 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -120.04 138.03 53.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 1.0 111.364 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.39 137.12 32.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.449 -0.9 . . . . 1.0 111.07 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 m -76.67 148.66 36.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.468 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -54.62 -26.45 32.83 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.757 -0.831 . . . . 1.0 108.757 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.52 -38.12 83.78 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.122 -0.945 . . . . 1.0 109.743 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.58 74.14 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.207 0.527 . . . . 1.0 110.377 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.75 -40.24 79.9 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.235 -0.893 . . . . 1.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -63.68 -40.35 96.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.951 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -70.29 -42.34 72.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.67 -46.36 96.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.68 -0.691 . . . . 1.0 112.103 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -60.98 -48.56 81.28 Favored 'General case' 0 N--CA 1.458 -0.048 0 CA-C-N 120.234 1.379 . . . . 1.0 110.747 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.47 -44.14 97.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.316 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.8 p -61.42 -34.5 75.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.324 0.583 . . . . 1.0 109.776 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.53 -39.07 57.19 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 109.491 -1.444 . . . . 1.0 109.491 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.33 -39.49 83.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.942 -0.629 . . . . 1.0 110.513 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -74.75 -30.41 61.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -64.86 -43.67 92.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.641 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -67.41 -35.73 79.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.34 -0.544 . . . . 1.0 109.951 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.12 145.48 44.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.335 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.93 144.83 27.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.155 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.762 -1.114 . . . . 1.0 110.103 179.233 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.02 93.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.458 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.76 146.31 48.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.423 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.93 96.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.456 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -118.98 130.56 55.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.439 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.21 -38.18 89.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.495 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.79 151.15 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.626 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -122.6 133.82 67.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.231 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.58 -40.04 73.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.666 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -140.89 138.06 33.63 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.351 0.871 . . . . 1.0 113.351 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -128.68 131.4 47.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.019 0.438 . . . . 1.0 110.076 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.9 122.08 36.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.516 -179.322 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 132.3 47.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.624 0.726 . . . . 1.0 112.055 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -97.56 124.93 50.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.606 -1.179 . . . . 1.0 109.959 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.69 155.47 63.04 Favored Pre-proline 0 N--CA 1.456 -0.128 0 N-CA-C 109.521 -0.548 . . . . 1.0 109.521 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -49.38 -36.01 37.21 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 121.25 1.3 . . . . 1.0 110.346 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -75.89 -18.98 59.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 118.502 0.592 . . . . 1.0 112.076 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.61 -138.59 5.51 Favored Glycine 0 C--N 1.338 0.655 0 C-N-CA 119.572 -1.299 . . . . 1.0 111.621 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.3 pt -132.85 149.69 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -121.81 134.95 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.461 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -131.12 120.34 23.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.221 -1.029 . . . . 1.0 108.221 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.89 138.15 54.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 111.487 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -139.99 134.97 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.611 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -75.9 150.61 37.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.207 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.84 -27.16 62.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.58 0.705 . . . . 1.0 109.478 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.87 -34.48 75.53 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.093 -0.958 . . . . 1.0 109.461 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.01 74.85 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 122.993 1.378 . . . . 1.0 108.493 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.33 -39.84 77.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.211 -1.359 . . . . 1.0 110.224 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.72 -43.47 97.83 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.981 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.26 -40.35 81.95 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.869 0.842 . . . . 1.0 109.708 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.99 -46.48 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 119.266 -0.974 . . . . 1.0 111.853 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.88 -48.24 79.85 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.478 -1.389 . . . . 1.0 110.651 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.65 -42.67 99.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.891 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.9 p -59.0 -35.34 73.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.203 0.525 . . . . 1.0 110.104 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.89 -38.03 60.54 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.056 -1.218 . . . . 1.0 110.056 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.24 -37.5 80.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.329 -0.435 . . . . 1.0 110.932 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -75.65 -27.73 58.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 1.0 109.951 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -65.21 -4.98 5.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.703 -0.68 . . . . 1.0 109.921 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -68.36 -35.94 78.48 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.707 -0.397 . . . . 1.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt 55.54 99.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.6 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.42 142.53 39.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.559 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.551 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.109 -0.7 . . . . 1.0 109.109 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.13 90.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.969 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.57 133.71 42.21 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.15 145.59 54.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.519 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -132.21 128.48 38.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.76 0.314 . . . . 1.0 111.025 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -135.2 152.06 51.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.968 0.413 . . . . 1.0 110.366 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.76 132.02 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.529 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -118.53 129.68 74.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.244 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.58 -27.95 21.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.056 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -140.85 131.79 26.06 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 120.259 -0.576 . . . . 1.0 112.252 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -128.02 130.71 48.73 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.952 0.406 . . . . 1.0 110.625 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -123.13 122.35 38.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.286 -0.87 . . . . 1.0 110.205 -179.471 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 131.79 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.403 0.62 . . . . 1.0 112.343 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -96.69 124.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.451 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.51 155.57 54.14 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -25.37 55.38 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 121.229 1.286 . . . . 1.0 109.789 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -83.64 -18.42 38.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 118.578 0.626 . . . . 1.0 110.623 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.81 -138.57 5.48 Favored Glycine 0 C--N 1.342 0.89 0 C-N-CA 119.959 -1.115 . . . . 1.0 111.583 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 pt -131.2 149.92 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -128.31 139.82 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.468 -0.787 . . . . 1.0 109.756 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.87 121.53 17.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.459 -0.497 . . . . 1.0 109.716 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -117.22 137.28 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.904 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -140.02 134.8 31.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.148 -0.933 . . . . 1.0 110.8 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 p -75.52 154.66 36.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.794 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -58.24 -26.91 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.623 0.725 . . . . 1.0 109.511 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -68.28 -39.36 82.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.597 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -32.24 72.07 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 121.641 0.734 . . . . 1.0 110.137 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -71.72 -38.95 70.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.836 -1.075 . . . . 1.0 110.15 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -61.71 -40.83 96.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.427 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.17 -42.53 72.33 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.034 0.445 . . . . 1.0 109.978 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.34 -45.17 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 118.699 -0.667 . . . . 1.0 112.307 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.55 -47.89 81.89 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.369 1.441 . . . . 1.0 110.584 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.51 -44.32 97.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.314 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -61.03 -36.2 78.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.444 0.64 . . . . 1.0 110.056 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.33 -38.44 58.52 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.32 -38.93 81.51 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.141 0.496 . . . . 1.0 110.574 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -75.89 -33.15 59.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.079 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -61.98 -44.23 97.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.355 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -67.82 -35.8 79.26 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.008 -0.677 . . . . 1.0 109.698 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 61.83 143.29 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.702 -0.681 . . . . 1.0 111.21 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.95 142.26 35.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.677 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.5 tttp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.103 -0.951 . . . . 1.0 110.517 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.5 151.33 36.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -148.71 101.21 3.18 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.565 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.25 -43.66 60.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 1.0 112.081 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -117.67 160.2 21.69 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.837 0.351 . . . . 1.0 111.315 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -70.23 133.41 47.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.109 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.92 155.56 43.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.537 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -126.18 133.49 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.554 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.34 -38.78 74.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.172 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -142.89 137.57 29.61 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.807 -0.757 . . . . 1.0 112.783 -179.703 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -130.59 135.42 47.87 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.307 0.575 . . . . 1.0 110.618 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -126.07 120.98 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.596 -1.184 . . . . 1.0 110.289 -179.339 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.28 132.29 47.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.765 0.793 . . . . 1.0 111.59 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -97.15 126.28 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.45 -1.25 . . . . 1.0 110.662 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -122.16 153.02 61.19 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -50.08 -29.14 21.15 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.211 1.274 . . . . 1.0 110.622 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.1 -16.82 45.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.009 0.822 . . . . 1.0 111.661 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.45 -139.75 6.13 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.425 -1.369 . . . . 1.0 111.749 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 pt -132.98 152.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 61.9 t0 -129.75 138.33 51.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.422 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 80.1 mt -132.88 121.96 23.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 178.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -119.88 135.6 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.582 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mp -138.95 135.73 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.932 -1.031 . . . . 1.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -76.57 151.74 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.031 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -57.73 -27.35 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.704 0.764 . . . . 1.0 109.296 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -68.3 -38.34 81.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.67 -1.15 . . . . 1.0 109.857 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.37 -34.29 73.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.072 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.87 -40.03 79.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.437 -0.801 . . . . 1.0 110.987 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -60.69 -41.87 95.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.177 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -68.35 -41.94 79.98 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 118.306 0.503 . . . . 1.0 109.957 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.63 -45.53 97.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.579 -0.737 . . . . 1.0 112.38 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -62.39 -49.66 74.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 119.929 1.241 . . . . 1.0 111.136 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.59 -41.92 98.32 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.71 -0.396 . . . . 1.0 111.508 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.5 p -61.25 -34.61 75.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.76 0.709 . . . . 1.0 109.972 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.03 -37.25 64.25 Favored Glycine 0 CA--C 1.518 0.246 0 N-CA-C 110.174 -1.17 . . . . 1.0 110.174 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.79 -37.5 82.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.17 -0.515 . . . . 1.0 111.082 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -75.94 -26.79 57.21 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.63 -0.507 . . . . 1.0 109.63 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -64.41 -6.4 7.12 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.363 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -68.23 -36.15 79.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.155 0.502 . . . . 1.0 110.689 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -73.84 131.82 41.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.515 -0.766 . . . . 1.0 109.886 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -74.19 138.95 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.717 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.586 -179.789 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 ttp . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.08 82.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.729 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.26 -22.92 65.28 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.611 -0.436 . . . . 1.0 110.994 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.35 -35.53 74.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.513 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -69.54 -36.81 76.7 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.749 -0.38 . . . . 1.0 110.767 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -68.36 141.85 55.64 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.664 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 139.55 57.6 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -125.83 127.06 70.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.501 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.18 -19.13 7.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -135.75 129.32 32.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 1.0 111.762 -179.459 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -133.41 132.73 41.5 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.624 0.726 . . . . 1.0 112.053 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.43 120.39 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.328 -1.305 . . . . 1.0 109.329 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 132.56 46.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.865 0.841 . . . . 1.0 112.408 -179.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -97.18 125.38 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.82 153.95 73.4 Favored Pre-proline 0 C--N 1.34 0.196 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.85 -37.02 20.94 Favored 'Trans proline' 0 C--N 1.317 -1.132 0 C-N-CA 121.349 1.366 . . . . 1.0 110.553 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 48.6 p30 -71.44 -23.8 61.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.722 -0.611 . . . . 1.0 111.779 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.17 -136.27 4.35 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 119.905 -1.14 . . . . 1.0 111.137 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.3 pt -132.9 152.31 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -125.28 138.62 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.87 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -134.74 120.5 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.53 135.48 54.38 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.681 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -135.32 133.16 38.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.572 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -76.11 149.88 37.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.437 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -56.82 -26.89 59.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.957 0.884 . . . . 1.0 108.93 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.48 -38.62 81.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.582 -1.19 . . . . 1.0 109.61 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.11 70.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.064 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.2 mt -72.5 -39.57 67.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.086 -0.961 . . . . 1.0 110.894 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -62.43 -40.34 96.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.693 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.04 -43.07 75.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 118.386 0.539 . . . . 1.0 110.474 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -62.61 -45.63 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-O 118.741 -0.647 . . . . 1.0 112.455 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.2 -48.0 81.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 120.193 1.36 . . . . 1.0 110.689 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.21 -43.0 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -57.75 -39.71 77.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.125 0.488 . . . . 1.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.85 -35.75 61.66 Favored Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 109.97 -1.252 . . . . 1.0 109.97 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.33 -40.05 85.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 1.0 110.858 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -75.1 -29.81 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 1.0 109.656 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 m -64.09 -5.14 4.25 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.347 -0.842 . . . . 1.0 110.353 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -69.13 -35.83 76.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 1.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.11 132.52 47.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.704 -0.68 . . . . 1.0 110.797 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -87.48 145.61 26.18 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.071 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.895 -1.05 . . . . 1.0 111.107 -179.018 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 5' ' ' HIS . . . -66.41 140.79 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.704 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.33 -36.28 79.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.715 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.15 85.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.87 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 2' ' ' ALA . 49.7 m80 -111.84 127.87 55.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.663 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -120.99 122.03 39.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.752 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.01 -9.74 59.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.526 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.402 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 34.0 m -130.34 160.67 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.528 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.44 -21.93 11.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.233 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 2.2 t80 -135.54 129.8 33.59 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.794 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 96.8 mm-40 -130.77 133.29 45.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.102 0.477 . . . . 1.0 111.011 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.74 122.78 37.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.944 -1.026 . . . . 1.0 110.217 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.12 132.45 47.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.62 0.724 . . . . 1.0 111.957 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -97.1 124.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.497 -1.228 . . . . 1.0 110.073 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.84 156.67 61.76 Favored Pre-proline 0 N--CA 1.457 -0.115 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -49.79 -36.36 42.15 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 121.314 1.343 . . . . 1.0 110.427 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -75.93 -18.76 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.499 0.59 . . . . 1.0 111.978 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.88 -138.13 5.32 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 119.57 -1.3 . . . . 1.0 111.456 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.34 149.47 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 121.402 0.62 . . . . 1.0 109.336 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -124.36 138.28 54.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.454 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp -136.23 121.63 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -119.21 138.22 53.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.8 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.74 135.72 31.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.565 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.8 p -76.18 153.43 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.723 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -55.89 -28.18 55.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.507 0.67 . . . . 1.0 109.833 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.73 -35.23 76.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.922 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.23 73.67 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.257 0.551 . . . . 1.0 109.967 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.83 -40.28 69.21 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.714 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -62.35 -37.93 87.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.664 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.57 -42.21 68.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 118.618 0.644 . . . . 1.0 109.821 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.58 -46.54 94.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.648 -0.705 . . . . 1.0 112.231 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -62.55 -48.46 79.4 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.067 1.303 . . . . 1.0 110.633 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.435 ' O ' ' ND1' ' A' ' 37' ' ' HIS . 94.6 mt -62.96 -42.78 99.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.146 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -58.06 -37.05 73.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.148 0.499 . . . . 1.0 110.299 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.63 -37.58 61.77 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.14 -1.184 . . . . 1.0 110.14 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.31 -37.4 80.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.167 -0.516 . . . . 1.0 110.798 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 33' ' ' LEU . 80.7 m80 -76.24 -28.01 56.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.234 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 m -66.44 -1.63 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.656 -0.702 . . . . 1.0 109.935 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -72.9 -35.85 67.18 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.157 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -95.65 150.15 20.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.872 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.86 142.46 44.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.472 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.043 -0.98 . . . . 1.0 110.643 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.67 -0.493 . . . . 1.0 109.67 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.63 139.44 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.977 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -78.16 156.77 29.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.37 150.68 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.303 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -65.7 -43.21 89.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.585 . . . . 1.0 111.025 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -104.3 125.03 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.891 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.53 152.11 32.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.876 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -125.99 135.79 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 1.0 110.478 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.23 74.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.093 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.564 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -141.35 138.76 33.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.566 -0.854 . . . . 1.0 113.298 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -128.74 130.62 47.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.1 122.23 36.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.56 135.98 46.29 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.05 126.09 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.783 -1.099 . . . . 1.0 110.267 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.97 156.17 66.17 Favored Pre-proline 0 C--N 1.339 0.13 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.13 -36.46 36.18 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.482 1.455 . . . . 1.0 110.749 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -76.93 -17.57 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.062 0.846 . . . . 1.0 111.613 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.96 -137.41 4.93 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 119.315 -1.422 . . . . 1.0 110.959 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.2 pt -137.68 154.18 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.325 0.583 . . . . 1.0 109.614 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -129.54 140.42 51.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.847 -1.07 . . . . 1.0 110.732 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.04 124.63 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.78 -0.452 . . . . 1.0 109.78 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -124.33 142.42 51.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.391 0.615 . . . . 1.0 111.384 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pp -142.66 135.69 28.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.862 -1.063 . . . . 1.0 110.206 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 p -77.91 154.93 31.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -57.85 -29.02 64.65 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.849 0.833 . . . . 1.0 110.249 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -67.43 -39.51 85.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.509 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.72 -34.0 72.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.969 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.58 -38.62 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.4 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -63.21 -42.55 99.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.649 -0.705 . . . . 1.0 111.897 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -70.06 -41.28 74.37 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 118.749 0.704 . . . . 1.0 109.696 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.39 -44.81 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.359 -0.837 . . . . 1.0 112.313 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -61.26 -49.59 76.44 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 120.196 1.362 . . . . 1.0 111.132 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.52 -42.66 98.46 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.555 -0.458 . . . . 1.0 111.41 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.4 p -58.78 -34.75 71.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.294 0.569 . . . . 1.0 109.632 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.5 -39.4 61.14 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.072 -1.211 . . . . 1.0 110.072 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.01 -36.24 78.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 1.0 111.001 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -74.56 -26.03 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.019 0.437 . . . . 1.0 110.755 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 m -64.15 -2.68 2.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.015 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -78.21 -24.99 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.664 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HG2' ' HZ2' ' A' ' 40' ' ' LYS . 64.1 tttm -71.46 129.46 38.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.605 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -79.86 130.89 35.68 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.24 -0.584 . . . . 1.0 110.936 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.109 -0.948 . . . . 1.0 110.748 179.428 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.258 -0.645 . . . . 1.0 109.258 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.91 90.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.94 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -108.58 125.38 51.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.362 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.07 145.82 55.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.419 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -66.1 -41.09 91.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.46 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -115.12 127.79 55.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 1.0 109.558 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.82 142.45 23.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.9 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -127.61 129.96 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-O 120.966 0.412 . . . . 1.0 110.81 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.88 -45.17 64.85 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.671 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.584 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -143.35 144.73 32.2 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.527 0.936 . . . . 1.0 113.527 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -136.71 134.29 37.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.384 0.612 . . . . 1.0 111.17 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.48 120.95 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.624 -1.171 . . . . 1.0 109.67 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 132.62 46.96 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.646 0.736 . . . . 1.0 111.972 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -97.4 125.24 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.533 -1.212 . . . . 1.0 109.784 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.413 ' HG1' ' H ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -122.67 154.8 63.56 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -48.22 -37.19 30.99 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 121.234 1.29 . . . . 1.0 110.164 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' H ' ' HG1' ' A' ' 15' ' ' THR . 97.5 m-20 -73.73 -19.52 60.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.367 0.531 . . . . 1.0 112.009 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.01 -138.48 5.49 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 119.547 -1.311 . . . . 1.0 111.718 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.5 pt -132.67 150.1 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -125.92 137.52 53.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.12 -0.946 . . . . 1.0 109.798 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.7 mt -132.51 122.71 25.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.087 -0.709 . . . . 1.0 109.087 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -124.76 138.72 54.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.416 0.626 . . . . 1.0 111.962 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.32 131.67 28.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.692 -1.14 . . . . 1.0 109.781 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -75.69 145.62 40.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.997 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -53.79 -26.44 23.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.717 0.77 . . . . 1.0 109.248 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.02 -37.66 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.037 . . . . 1.0 109.759 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.36 70.74 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.513 0.673 . . . . 1.0 109.607 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.49 -39.54 70.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.719 -1.128 . . . . 1.0 110.336 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -62.97 -39.77 95.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.353 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.69 -41.32 72.15 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 118.421 0.555 . . . . 1.0 110.249 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.87 -44.88 98.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 118.798 -0.62 . . . . 1.0 112.061 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.02 -48.55 79.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 120.134 1.334 . . . . 1.0 111.359 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.83 -42.44 99.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.646 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.2 m -61.14 -36.08 78.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 118.493 0.588 . . . . 1.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.64 62.63 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.05 -1.22 . . . . 1.0 110.05 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.79 -36.21 80.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.178 -0.511 . . . . 1.0 110.876 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -75.25 -26.15 58.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.702 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -66.49 -4.74 9.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.533 -0.758 . . . . 1.0 110.066 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -69.86 -35.81 75.0 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.671 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -78.91 134.19 36.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.89 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.19 146.42 35.02 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.922 -1.037 . . . . 1.0 110.519 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 2' ' ' ALA . 65.6 mtt . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 54.72 109.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.629 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -138.83 149.71 45.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.865 0.364 . . . . 1.0 110.504 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.34 151.04 34.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.763 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -111.65 142.75 43.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.23 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -74.42 138.81 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.72 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.59 142.08 57.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.033 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.69 134.63 65.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.99 -37.44 72.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.747 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.623 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -141.56 134.0 28.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.571 -0.74 . . . . 1.0 112.752 -179.059 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -127.26 130.31 49.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.29 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -124.74 123.11 39.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.261 -179.499 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.4 133.59 44.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.913 0.863 . . . . 1.0 112.572 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 p -98.61 123.55 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.125 -1.398 . . . . 1.0 110.048 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.61 156.82 60.9 Favored Pre-proline 0 C--N 1.338 0.085 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -49.31 -35.07 33.91 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.46 1.44 . . . . 1.0 110.726 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -77.21 -19.63 56.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 118.286 0.494 . . . . 1.0 112.172 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.37 -139.16 5.77 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 119.615 -1.279 . . . . 1.0 111.917 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.87 152.05 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -131.23 138.98 49.59 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.23 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.77 117.55 15.09 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.65 -0.42 . . . . 1.0 109.992 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -112.18 138.08 49.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.72 -0.673 . . . . 1.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.19 132.71 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.429 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 m -74.18 149.95 40.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.614 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -57.77 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.708 . . . . 1.0 109.351 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.72 -37.65 82.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.83 -33.95 73.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.167 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.6 mt -69.71 -39.2 77.02 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.387 -0.824 . . . . 1.0 110.976 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -63.78 -37.08 86.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.975 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.76 -43.0 69.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.264 0.484 . . . . 1.0 109.928 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.4 mt -62.28 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.491 -0.777 . . . . 1.0 111.864 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -65.29 -47.86 75.19 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 120.519 1.508 . . . . 1.0 110.506 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -60.31 -36.42 77.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.315 0.507 . . . . 1.0 110.256 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.88 -37.07 57.12 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.417 -1.073 . . . . 1.0 110.417 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.43 -37.67 81.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.892 -0.654 . . . . 1.0 110.847 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -76.57 -17.13 59.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.671 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 m -68.58 -6.02 23.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.734 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -72.67 -34.66 67.36 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.859 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.3 tttt 58.94 71.77 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.059 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -70.84 135.84 48.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.429 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 118.123 -0.942 . . . . 1.0 110.314 179.82 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mmm . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.64 138.59 50.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.188 0.518 . . . . 1.0 111.267 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 55.8 mp0 -68.25 -36.77 79.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.472 -0.786 . . . . 1.0 110.54 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.57 149.84 48.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.214 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -109.66 130.51 55.51 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.983 0.421 . . . . 1.0 111.017 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -73.8 139.51 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.219 0.533 . . . . 1.0 110.59 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.42 149.37 44.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.462 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -123.54 130.56 74.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.605 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.77 -19.71 7.89 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.97 -0.292 . . . . 1.0 111.413 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.606 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -133.57 130.51 38.5 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.905 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -133.33 135.59 44.89 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.731 -0.605 . . . . 1.0 110.933 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.69 122.66 36.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.459 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.88 128.72 45.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.242 0.544 . . . . 1.0 112.399 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -97.73 125.76 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.314 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.95 158.74 56.52 Favored Pre-proline 0 C--O 1.233 0.216 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -51.13 -35.48 51.85 Favored 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.466 1.444 . . . . 1.0 110.183 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -75.84 -20.94 57.75 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.75 0.648 . . . . 1.0 112.75 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.67 -139.26 5.77 Favored Glycine 0 C--O 1.228 -0.274 0 C-N-CA 119.195 -1.478 . . . . 1.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.4 150.65 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.816 -0.809 . . . . 1.0 108.816 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -127.19 140.14 52.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.795 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.61 121.41 17.54 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -112.31 138.63 48.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.764 -0.653 . . . . 1.0 109.961 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -137.06 132.43 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.404 -0.816 . . . . 1.0 109.395 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 p -79.25 146.0 33.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.307 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -57.29 -27.18 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 1.0 109.552 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.27 -35.92 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.889 -1.051 . . . . 1.0 109.899 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.16 74.15 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 121.362 0.601 . . . . 1.0 109.976 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.35 -39.18 81.95 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.13 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -60.48 -42.05 95.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.037 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.45 -42.74 74.51 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 118.413 0.551 . . . . 1.0 110.336 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.7 -46.41 96.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.478 -0.783 . . . . 1.0 112.317 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -61.78 -49.39 76.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 120.099 1.318 . . . . 1.0 111.255 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.89 -41.52 97.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.673 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.0 t -57.77 -37.83 74.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.264 0.484 . . . . 1.0 110.274 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.24 64.06 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.709 -0.957 . . . . 1.0 110.709 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.86 -37.26 81.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.475 -0.363 . . . . 1.0 111.13 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -75.66 -15.24 60.34 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.926 0.393 . . . . 1.0 110.467 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -69.37 -4.34 17.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.081 -0.509 . . . . 1.0 109.752 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -84.88 -17.0 39.29 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 119.911 -0.716 . . . . 1.0 110.177 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.4 tttp 56.51 75.37 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.324 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -69.62 133.47 47.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.933 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.778 -1.106 . . . . 1.0 110.872 179.525 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.702 -0.481 . . . . 1.0 109.702 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.15 23.77 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 1.0 110.556 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 56.7 mp0 -66.4 136.04 55.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.983 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.28 143.98 57.44 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.294 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -112.61 136.41 52.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.445 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -116.06 128.06 55.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.032 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.91 151.7 48.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.02 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.0 m -130.09 164.87 31.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.447 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.52 -38.14 74.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.094 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.55 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -139.04 133.97 32.36 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.598 -0.728 . . . . 1.0 112.46 -179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' NE2' HH21 ' A' ' 22' ' ' ARG . 58.9 tt0 -131.09 136.38 48.35 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.363 0.601 . . . . 1.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -128.69 121.72 29.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.659 -1.155 . . . . 1.0 109.948 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 132.76 47.24 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.547 0.689 . . . . 1.0 112.188 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -97.01 124.73 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 CA-C-N 114.928 -1.033 . . . . 1.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.3 40.73 Favored Pre-proline 0 CA--C 1.515 -0.386 0 N-CA-C 109.065 -0.717 . . . . 1.0 109.065 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.54 -27.28 81.89 Favored 'Trans proline' 0 C--N 1.299 -2.027 0 C-N-CA 121.497 1.465 . . . . 1.0 109.433 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -83.47 -17.34 42.35 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.391 0.541 . . . . 1.0 111.477 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.94 -139.29 5.88 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 119.706 -1.235 . . . . 1.0 111.518 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -132.2 151.48 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.4 t0 -129.17 138.54 51.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.554 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -136.79 125.91 24.55 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.458 HH21 ' NE2' ' A' ' 11' ' ' GLN . 90.0 mtm180 -124.7 138.38 54.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.776 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -138.94 133.78 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.902 -1.045 . . . . 1.0 109.996 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -75.85 151.51 37.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.06 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -56.97 -28.08 61.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.614 0.721 . . . . 1.0 109.431 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.38 -37.73 80.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.973 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.53 70.36 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.363 0.602 . . . . 1.0 109.955 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -71.75 -39.63 69.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.316 -0.856 . . . . 1.0 109.809 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.94 -38.64 91.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.289 -0.869 . . . . 1.0 111.58 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -71.98 -41.99 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.589 0.631 . . . . 1.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.5 -44.97 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.905 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.97 -48.8 77.31 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 120.316 1.416 . . . . 1.0 110.832 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 ' O ' ' ND1' ' A' ' 37' ' ' HIS . 88.0 mt -63.68 -41.41 98.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 1.0 111.614 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -59.58 -37.35 78.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.182 0.515 . . . . 1.0 109.99 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.2 -35.35 57.15 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.405 -1.078 . . . . 1.0 110.405 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.72 -36.64 81.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.452 -0.374 . . . . 1.0 110.9 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 33' ' ' LEU . 78.0 m80 -76.61 -19.04 58.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.967 0.413 . . . . 1.0 110.05 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -72.57 -2.87 21.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.34 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -72.91 -35.08 67.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.242 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -102.1 145.72 28.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.247 0.546 . . . . 1.0 111.055 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -76.12 142.8 41.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.679 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttp . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.334 -179.792 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 CA--C 1.522 -0.096 0 CA-C-O 121.101 0.477 . . . . 1.0 110.347 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.91 123.16 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.774 -1.103 . . . . 1.0 109.723 -179.329 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -130.51 132.76 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.535 0.684 . . . . 1.0 111.804 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.2 p -96.77 125.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.644 -1.162 . . . . 1.0 109.362 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.68 155.77 62.57 Favored Pre-proline 0 N--CA 1.451 -0.415 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -50.03 -36.62 45.28 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 121.32 1.347 . . . . 1.0 110.104 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -75.12 -19.61 59.83 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 118.097 0.408 . . . . 1.0 112.034 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.09 -137.99 5.22 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 119.681 -1.247 . . . . 1.0 111.32 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 pt -132.41 150.2 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.6 t0 -128.3 138.36 52.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.195 -0.911 . . . . 1.0 109.511 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.498 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.8 mp -136.28 124.63 23.32 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -119.89 137.32 54.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.904 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -137.59 135.43 36.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.77 -1.104 . . . . 1.0 110.591 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -78.42 152.24 32.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.402 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -56.49 -28.54 60.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.559 0.695 . . . . 1.0 109.729 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.39 -37.82 80.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.888 -1.051 . . . . 1.0 110.445 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 121.361 0.6 . . . . 1.0 110.086 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 121.069 0.462 . . . . 1.0 110.315 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.46 122.43 36.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.52 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.04 132.56 49.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.434 0.635 . . . . 1.0 112.268 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.0 t -98.76 125.66 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.023 -0.989 . . . . 1.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -122.8 152.12 61.87 Favored Pre-proline 0 C--N 1.338 0.079 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -48.22 -33.53 21.97 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 120.989 1.126 . . . . 1.0 110.211 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.13 -20.35 57.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.491 0.587 . . . . 1.0 111.957 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.77 -139.02 5.66 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 119.394 -1.384 . . . . 1.0 112.075 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.12 149.84 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -126.17 137.61 53.59 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.866 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mp -135.05 118.64 16.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.19 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.26 135.35 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.022 -0.99 . . . . 1.0 110.217 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.6 p -76.78 155.05 33.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.676 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -59.16 -27.43 65.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.445 0.64 . . . . 1.0 109.658 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -68.19 -39.52 82.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.809 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.158 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.197 179.813 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -129.84 122.51 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.687 -1.142 . . . . 1.0 110.583 -179.208 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.04 132.85 47.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.715 0.769 . . . . 1.0 112.058 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 19' ' ' ILE . 49.9 t -98.09 125.68 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.473 -1.24 . . . . 1.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.82 155.44 66.77 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -47.13 -38.56 25.15 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.551 1.5 . . . . 1.0 110.722 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -74.7 -19.34 60.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.557 0.617 . . . . 1.0 112.356 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.31 -137.4 4.9 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.42 -1.371 . . . . 1.0 111.898 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.462 HG22 HG22 ' A' ' 14' ' ' VAL . 36.3 pt -133.64 151.71 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.364 0.602 . . . . 1.0 109.577 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -129.67 139.23 51.43 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.109 -0.95 . . . . 1.0 109.65 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.83 125.87 24.42 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.343 -0.543 . . . . 1.0 109.609 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -120.71 136.18 54.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.81 134.57 33.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.825 -1.08 . . . . 1.0 110.071 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.1 m -76.65 151.81 36.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.011 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -54.86 -28.0 46.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.342 0.591 . . . . 1.0 110.248 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.57 -37.73 77.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.361 -0.836 . . . . 1.0 109.843 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.607 -179.897 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.553 0.692 . . . . 1.0 111.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 1.1 t80 -126.86 123.03 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.043 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.16 135.36 46.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.789 0.804 . . . . 1.0 113.109 -178.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 19' ' ' ILE . 53.1 t -98.94 124.91 52.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 114.408 -1.269 . . . . 1.0 110.1 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 157.96 58.97 Favored Pre-proline 0 C--N 1.341 0.212 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -50.35 -39.18 53.67 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.317 1.345 . . . . 1.0 110.422 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -74.53 -18.89 60.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.651 0.659 . . . . 1.0 111.97 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.27 -137.75 5.09 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 119.576 -1.297 . . . . 1.0 111.375 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.519 HG22 HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -133.33 152.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -128.71 138.5 52.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.01 -0.996 . . . . 1.0 110.303 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.17 121.39 19.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.522 -0.471 . . . . 1.0 109.937 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -116.6 138.29 51.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.372 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -139.18 132.99 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.714 -1.13 . . . . 1.0 110.463 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 m -75.92 151.23 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.315 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.52 -28.07 58.99 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.551 0.691 . . . . 1.0 109.44 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.26 -38.36 81.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.653 -1.158 . . . . 1.0 109.463 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.148 0.499 . . . . 1.0 110.801 179.339 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.167 0.508 . . . . 1.0 110.458 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.0 122.43 35.87 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.131 -0.94 . . . . 1.0 110.995 -178.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.51 130.82 49.84 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.53 0.681 . . . . 1.0 111.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.6 p -96.74 125.37 49.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.859 -1.064 . . . . 1.0 110.87 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -121.63 150.19 54.58 Favored Pre-proline 0 C--N 1.34 0.171 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -45.4 -35.91 12.49 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.051 1.167 . . . . 1.0 110.08 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.11 -19.37 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.557 0.617 . . . . 1.0 112.543 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.4 -138.83 5.73 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 119.635 -1.269 . . . . 1.0 111.17 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -133.72 149.58 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 121.395 0.617 . . . . 1.0 109.6 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -119.56 135.61 54.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.911 -1.04 . . . . 1.0 109.135 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -132.4 119.55 20.83 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -119.68 135.75 54.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.91 137.86 36.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.196 -0.911 . . . . 1.0 110.797 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -76.81 154.81 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.673 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -57.74 -29.71 64.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.612 0.72 . . . . 1.0 110.211 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.1 -38.22 82.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.731 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.178 179.604 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 121.316 0.579 . . . . 1.0 110.811 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.46 122.43 37.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.632 -1.167 . . . . 1.0 110.183 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -128.1 131.59 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 1.0 111.52 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.2 p -97.56 124.17 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.463 -1.244 . . . . 1.0 110.549 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.85 156.68 46.21 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 108.467 -0.938 . . . . 1.0 108.467 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -23.13 59.52 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 121.396 1.397 . . . . 1.0 109.137 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 34.3 p30 -85.07 -17.95 35.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.151 0.432 . . . . 1.0 111.432 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 162.28 -139.64 6.08 Favored Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.748 -1.215 . . . . 1.0 111.926 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.2 pt -131.37 149.54 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.435 0.636 . . . . 1.0 109.483 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -124.67 134.23 52.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.559 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 mt -131.51 121.67 24.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.326 -0.991 . . . . 1.0 108.326 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -122.02 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -138.23 133.23 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.164 -0.925 . . . . 1.0 110.65 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.4 p -74.27 154.11 39.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 1.0 110.38 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -56.76 -27.29 59.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.347 0.594 . . . . 1.0 110.417 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.12 -39.58 82.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.393 -0.822 . . . . 1.0 109.292 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.193 179.708 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 121.547 0.689 . . . . 1.0 112.364 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -124.71 121.11 33.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.762 179.229 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 131.3 51.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.515 0.674 . . . . 1.0 111.662 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.5 p -97.37 123.84 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.094 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.0 156.29 56.93 Favored Pre-proline 0 N--CA 1.456 -0.134 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -50.25 -34.88 41.59 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 121.296 1.331 . . . . 1.0 110.009 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -76.25 -19.3 58.47 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.443 0.565 . . . . 1.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.84 -137.53 4.93 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 119.606 -1.283 . . . . 1.0 111.686 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.9 pt -133.84 150.68 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.0 t0 -125.44 138.84 54.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.717 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.489 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 76.6 mt -133.79 119.73 19.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.681 -0.859 . . . . 1.0 108.681 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -116.53 136.95 52.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.276 0.56 . . . . 1.0 110.675 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -136.98 134.33 36.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.968 -1.014 . . . . 1.0 109.305 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.8 p -80.75 153.69 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.953 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -60.35 -29.28 68.81 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.26 -37.41 80.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.614 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 109.809 179.209 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 120.847 0.356 . . . . 1.0 110.353 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -124.1 121.68 35.81 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.366 -0.834 . . . . 1.0 109.855 -179.6 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.9 133.35 46.81 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.805 0.812 . . . . 1.0 112.439 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -97.52 123.93 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.198 -1.365 . . . . 1.0 109.701 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.47 155.95 68.19 Favored Pre-proline 0 C--N 1.339 0.135 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -48.45 -34.52 26.0 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 121.535 1.49 . . . . 1.0 111.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.73 -17.34 57.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 119.014 0.825 . . . . 1.0 112.192 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.55 -136.28 4.43 Favored Glycine 0 C--N 1.342 0.874 0 C-N-CA 119.937 -1.125 . . . . 1.0 111.228 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -132.75 153.07 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 59.6 t0 -129.84 138.3 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.085 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -137.13 121.46 18.12 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.786 ' O ' HD13 ' A' ' 23' ' ' LEU . 44.6 ttm180 -119.3 136.09 54.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.314 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.89 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -135.68 132.53 37.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.81 -1.086 . . . . 1.0 109.413 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -75.76 151.78 37.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 1.0 110.462 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -55.83 -27.45 51.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.78 0.8 . . . . 1.0 109.743 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.25 -38.19 78.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.785 -1.098 . . . . 1.0 109.478 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.143 179.414 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 121.372 0.606 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -122.83 121.99 37.57 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.566 -1.197 . . . . 1.0 110.276 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.402 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -128.13 131.36 48.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.672 0.748 . . . . 1.0 110.92 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.7 p -97.12 123.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.355 -1.293 . . . . 1.0 110.032 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.92 151.94 61.96 Favored Pre-proline 0 CA--C 1.518 -0.281 0 C-N-CA 120.411 -0.516 . . . . 1.0 109.902 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.58 -36.06 23.85 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.196 1.264 . . . . 1.0 110.518 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 36.4 p30 -72.72 -22.08 60.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.614 0.366 . . . . 1.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.86 -137.72 5.03 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 119.733 -1.223 . . . . 1.0 111.151 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.2 pt -132.71 152.42 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.401 0.62 . . . . 1.0 109.458 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 50.8 t0 -127.56 137.09 52.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.086 -0.961 . . . . 1.0 110.208 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.3 mt -133.58 121.68 22.43 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -122.6 137.46 54.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.159 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.15 133.84 30.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.868 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -72.89 149.34 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.594 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -55.12 -28.06 49.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.28 0.562 . . . . 1.0 110.131 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.58 -36.11 80.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.412 -0.813 . . . . 1.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.823 179.745 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 121.03 0.443 . . . . 1.0 109.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -127.14 121.77 32.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.852 -179.247 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -129.21 131.64 47.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.644 0.735 . . . . 1.0 112.059 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 14' ' ' VAL . 11.4 p -97.17 124.86 50.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.099 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.93 158.81 56.25 Favored Pre-proline 0 CA--C 1.519 -0.233 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.033 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.33 -38.18 51.85 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.171 1.247 . . . . 1.0 110.33 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.92 -17.54 59.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.537 0.569 . . . . 1.0 112.537 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.57 -138.81 5.71 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 119.76 -1.21 . . . . 1.0 111.342 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 pt -132.83 150.46 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 66.8 t0 -128.5 139.1 52.5 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 114.951 -1.022 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -134.57 120.61 19.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.442 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -120.04 138.03 53.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 1.0 111.364 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.39 137.12 32.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.449 -0.9 . . . . 1.0 111.07 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 m -76.67 148.66 36.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.468 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -54.62 -26.45 32.83 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.757 -0.831 . . . . 1.0 108.757 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.52 -38.12 83.78 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.122 -0.945 . . . . 1.0 109.743 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.161 0 CA-C-O 121.207 0.527 . . . . 1.0 110.377 179.462 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.019 0.438 . . . . 1.0 110.076 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.9 122.08 36.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.516 -179.322 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 132.3 47.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.624 0.726 . . . . 1.0 112.055 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -97.56 124.93 50.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.606 -1.179 . . . . 1.0 109.959 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.69 155.47 63.04 Favored Pre-proline 0 N--CA 1.456 -0.128 0 N-CA-C 109.521 -0.548 . . . . 1.0 109.521 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -49.38 -36.01 37.21 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 121.25 1.3 . . . . 1.0 110.346 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -75.89 -18.98 59.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 118.502 0.592 . . . . 1.0 112.076 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.61 -138.59 5.51 Favored Glycine 0 C--N 1.338 0.655 0 C-N-CA 119.572 -1.299 . . . . 1.0 111.621 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.3 pt -132.85 149.69 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.761 ' C ' HD22 ' A' ' 21' ' ' LEU . 96.3 m-20 -121.81 134.95 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.461 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.761 HD22 ' C ' ' A' ' 20' ' ' ASP . 4.0 mm? -131.12 120.34 23.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.221 -1.029 . . . . 1.0 108.221 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.89 138.15 54.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 111.487 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -139.99 134.97 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.611 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -75.9 150.61 37.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.207 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.84 -27.16 62.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.58 0.705 . . . . 1.0 109.478 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.87 -34.48 75.53 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.093 -0.958 . . . . 1.0 109.461 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 122.993 1.378 . . . . 1.0 108.493 -179.265 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 120.952 0.406 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -123.13 122.35 38.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.286 -0.87 . . . . 1.0 110.205 -179.471 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 131.79 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.403 0.62 . . . . 1.0 112.343 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -96.69 124.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.451 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.51 155.57 54.14 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -25.37 55.38 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 121.229 1.286 . . . . 1.0 109.789 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -83.64 -18.42 38.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 118.578 0.626 . . . . 1.0 110.623 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.81 -138.57 5.48 Favored Glycine 0 C--N 1.342 0.89 0 C-N-CA 119.959 -1.115 . . . . 1.0 111.583 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 pt -131.2 149.92 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -128.31 139.82 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.468 -0.787 . . . . 1.0 109.756 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.87 121.53 17.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.459 -0.497 . . . . 1.0 109.716 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -117.22 137.28 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.904 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -140.02 134.8 31.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.148 -0.933 . . . . 1.0 110.8 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 p -75.52 154.66 36.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.794 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -58.24 -26.91 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.623 0.725 . . . . 1.0 109.511 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -68.28 -39.36 82.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.597 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 121.641 0.734 . . . . 1.0 110.137 179.586 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 121.307 0.575 . . . . 1.0 110.618 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -126.07 120.98 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.596 -1.184 . . . . 1.0 110.289 -179.339 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.28 132.29 47.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.765 0.793 . . . . 1.0 111.59 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -97.15 126.28 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.45 -1.25 . . . . 1.0 110.662 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -122.16 153.02 61.19 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -50.08 -29.14 21.15 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.211 1.274 . . . . 1.0 110.622 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.1 -16.82 45.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.009 0.822 . . . . 1.0 111.661 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.45 -139.75 6.13 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.425 -1.369 . . . . 1.0 111.749 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 pt -132.98 152.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 61.9 t0 -129.75 138.33 51.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.422 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 80.1 mt -132.88 121.96 23.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 178.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -119.88 135.6 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.582 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mp -138.95 135.73 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.932 -1.031 . . . . 1.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -76.57 151.74 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.031 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -57.73 -27.35 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.704 0.764 . . . . 1.0 109.296 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -68.3 -38.34 81.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.67 -1.15 . . . . 1.0 109.857 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.072 179.576 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.624 0.726 . . . . 1.0 112.053 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.43 120.39 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.328 -1.305 . . . . 1.0 109.329 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 132.56 46.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.865 0.841 . . . . 1.0 112.408 -179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -97.18 125.38 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.82 153.95 73.4 Favored Pre-proline 0 C--N 1.34 0.196 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.85 -37.02 20.94 Favored 'Trans proline' 0 C--N 1.317 -1.132 0 C-N-CA 121.349 1.366 . . . . 1.0 110.553 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 48.6 p30 -71.44 -23.8 61.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.722 -0.611 . . . . 1.0 111.779 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.17 -136.27 4.35 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 119.905 -1.14 . . . . 1.0 111.137 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.3 pt -132.9 152.31 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -125.28 138.62 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.87 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -134.74 120.5 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.53 135.48 54.38 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.681 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -135.32 133.16 38.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.572 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -76.11 149.88 37.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.437 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -56.82 -26.89 59.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.957 0.884 . . . . 1.0 108.93 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.48 -38.62 81.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.582 -1.19 . . . . 1.0 109.61 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.064 179.699 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 121.102 0.477 . . . . 1.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.74 122.78 37.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.944 -1.026 . . . . 1.0 110.217 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.12 132.45 47.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.62 0.724 . . . . 1.0 111.957 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 14' ' ' VAL . 9.1 p -97.1 124.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.497 -1.228 . . . . 1.0 110.073 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.84 156.67 61.76 Favored Pre-proline 0 N--CA 1.457 -0.115 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -49.79 -36.36 42.15 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 121.314 1.343 . . . . 1.0 110.427 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -75.93 -18.76 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.499 0.59 . . . . 1.0 111.978 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.88 -138.13 5.32 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 119.57 -1.3 . . . . 1.0 111.456 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.34 149.47 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 121.402 0.62 . . . . 1.0 109.336 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -124.36 138.28 54.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.454 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp -136.23 121.63 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -119.21 138.22 53.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.8 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.74 135.72 31.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.565 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.8 p -76.18 153.43 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.723 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -55.89 -28.18 55.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.507 0.67 . . . . 1.0 109.833 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.73 -35.23 76.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.922 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 121.257 0.551 . . . . 1.0 109.967 179.376 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 . . . . . 0 N--CA 1.462 0.142 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.1 122.23 36.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.56 135.98 46.29 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.05 126.09 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.783 -1.099 . . . . 1.0 110.267 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.97 156.17 66.17 Favored Pre-proline 0 C--N 1.339 0.13 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.13 -36.46 36.18 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.482 1.455 . . . . 1.0 110.749 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -76.93 -17.57 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.062 0.846 . . . . 1.0 111.613 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.96 -137.41 4.93 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 119.315 -1.422 . . . . 1.0 110.959 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 19' ' ' ILE . 43.2 pt -137.68 154.18 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.325 0.583 . . . . 1.0 109.614 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -129.54 140.42 51.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.847 -1.07 . . . . 1.0 110.732 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.04 124.63 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.78 -0.452 . . . . 1.0 109.78 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -124.33 142.42 51.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.391 0.615 . . . . 1.0 111.384 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pp -142.66 135.69 28.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.862 -1.063 . . . . 1.0 110.206 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 p -77.91 154.93 31.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -57.85 -29.02 64.65 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.849 0.833 . . . . 1.0 110.249 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -67.43 -39.51 85.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.509 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.969 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 121.384 0.612 . . . . 1.0 111.17 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.48 120.95 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.624 -1.171 . . . . 1.0 109.67 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 132.62 46.96 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.646 0.736 . . . . 1.0 111.972 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -97.4 125.24 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.533 -1.212 . . . . 1.0 109.784 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.67 154.8 63.56 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -48.22 -37.19 30.99 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 121.234 1.29 . . . . 1.0 110.164 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.73 -19.52 60.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.367 0.531 . . . . 1.0 112.009 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.01 -138.48 5.49 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 119.547 -1.311 . . . . 1.0 111.718 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.5 pt -132.67 150.1 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -125.92 137.52 53.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.12 -0.946 . . . . 1.0 109.798 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.7 mt -132.51 122.71 25.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.087 -0.709 . . . . 1.0 109.087 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -124.76 138.72 54.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.416 0.626 . . . . 1.0 111.962 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.32 131.67 28.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.692 -1.14 . . . . 1.0 109.781 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -75.69 145.62 40.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.997 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -53.79 -26.44 23.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.717 0.77 . . . . 1.0 109.248 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.02 -37.66 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.037 . . . . 1.0 109.759 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 121.513 0.673 . . . . 1.0 109.607 179.724 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--O 1.228 -0.068 0 CA-C-O 120.696 0.284 . . . . 1.0 110.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -124.74 123.11 39.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.261 -179.499 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.4 133.59 44.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.913 0.863 . . . . 1.0 112.572 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 14' ' ' VAL . 13.1 p -98.61 123.55 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.125 -1.398 . . . . 1.0 110.048 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.61 156.82 60.9 Favored Pre-proline 0 C--N 1.338 0.085 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -49.31 -35.07 33.91 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.46 1.44 . . . . 1.0 110.726 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -77.21 -19.63 56.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 118.286 0.494 . . . . 1.0 112.172 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.37 -139.16 5.77 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 119.615 -1.279 . . . . 1.0 111.917 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.87 152.05 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -131.23 138.98 49.59 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.23 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.77 117.55 15.09 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.65 -0.42 . . . . 1.0 109.992 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -112.18 138.08 49.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.72 -0.673 . . . . 1.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.19 132.71 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.429 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 m -74.18 149.95 40.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.614 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -57.77 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.708 . . . . 1.0 109.351 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.72 -37.65 82.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.167 179.594 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 121.02 0.438 . . . . 1.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.69 122.66 36.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.459 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.88 128.72 45.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.242 0.544 . . . . 1.0 112.399 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 14' ' ' VAL . 12.0 p -97.73 125.76 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.314 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.95 158.74 56.52 Favored Pre-proline 0 C--O 1.233 0.216 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -51.13 -35.48 51.85 Favored 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.466 1.444 . . . . 1.0 110.183 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -75.84 -20.94 57.75 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.75 0.648 . . . . 1.0 112.75 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.67 -139.26 5.77 Favored Glycine 0 C--O 1.228 -0.274 0 C-N-CA 119.195 -1.478 . . . . 1.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.4 150.65 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.816 -0.809 . . . . 1.0 108.816 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -127.19 140.14 52.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.795 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.61 121.41 17.54 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -112.31 138.63 48.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.764 -0.653 . . . . 1.0 109.961 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -137.06 132.43 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.404 -0.816 . . . . 1.0 109.395 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 p -79.25 146.0 33.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.307 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -57.29 -27.18 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 1.0 109.552 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.27 -35.92 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.889 -1.051 . . . . 1.0 109.899 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.103 0 CA-C-O 121.362 0.601 . . . . 1.0 109.976 179.572 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.466 ' NE2' HH21 ' A' ' 22' ' ' ARG . 58.9 tt0 . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.363 0.601 . . . . 1.0 110.997 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -128.69 121.72 29.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.659 -1.155 . . . . 1.0 109.948 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 132.76 47.24 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.547 0.689 . . . . 1.0 112.188 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -97.01 124.73 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 CA-C-N 114.928 -1.033 . . . . 1.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.3 40.73 Favored Pre-proline 0 CA--C 1.515 -0.386 0 N-CA-C 109.065 -0.717 . . . . 1.0 109.065 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.54 -27.28 81.89 Favored 'Trans proline' 0 C--N 1.299 -2.027 0 C-N-CA 121.497 1.465 . . . . 1.0 109.433 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -83.47 -17.34 42.35 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.391 0.541 . . . . 1.0 111.477 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.94 -139.29 5.88 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 119.706 -1.235 . . . . 1.0 111.518 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -132.2 151.48 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.4 t0 -129.17 138.54 51.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.554 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -136.79 125.91 24.55 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.466 HH21 ' NE2' ' A' ' 11' ' ' GLN . 90.0 mtm180 -124.7 138.38 54.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.776 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -138.94 133.78 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.902 -1.045 . . . . 1.0 109.996 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -75.85 151.51 37.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.06 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -56.97 -28.08 61.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.614 0.721 . . . . 1.0 109.431 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.38 -37.73 80.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.973 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 121.363 0.602 . . . . 1.0 109.955 179.686 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.78 141.44 55.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.341 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -133.94 150.53 51.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.231 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.55 91.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 1.0 110.598 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 8' ' ' VAL . 13.0 m-70 -61.36 -42.54 98.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.947 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -67.34 -40.93 85.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.099 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.05 93.51 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.151 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 5' ' ' HIS . 46.6 t -124.04 130.43 73.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.997 0.427 . . . . 1.0 111.224 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -115.21 -17.82 11.27 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.684 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -137.94 132.72 32.79 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.044 -0.663 . . . . 1.0 112.281 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -129.81 131.75 46.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.101 0.477 . . . . 1.0 110.347 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.91 123.16 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.774 -1.103 . . . . 1.0 109.723 -179.329 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -130.51 132.76 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.535 0.684 . . . . 1.0 111.804 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.2 p -96.77 125.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.644 -1.162 . . . . 1.0 109.362 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.68 155.77 62.57 Favored Pre-proline 0 N--CA 1.451 -0.415 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -50.03 -36.62 45.28 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 121.32 1.347 . . . . 1.0 110.104 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -75.12 -19.61 59.83 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 118.097 0.408 . . . . 1.0 112.034 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.09 -137.99 5.22 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 119.681 -1.247 . . . . 1.0 111.32 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 pt -132.41 150.2 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.6 t0 -128.3 138.36 52.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.195 -0.911 . . . . 1.0 109.511 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.498 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.8 mp -136.28 124.63 23.32 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -119.89 137.32 54.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.904 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -137.59 135.43 36.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.77 -1.104 . . . . 1.0 110.591 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -78.42 152.24 32.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.402 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -56.49 -28.54 60.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.559 0.695 . . . . 1.0 109.729 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.39 -37.82 80.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.888 -1.051 . . . . 1.0 110.445 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.702 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -62.36 -32.93 73.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.361 0.6 . . . . 1.0 110.086 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 28' ' ' LEU . 92.4 mt -69.47 -40.06 77.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -62.34 -40.15 95.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.255 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -69.06 -42.94 75.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 1.0 110.48 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.22 -44.92 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.557 -0.747 . . . . 1.0 112.491 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.19 -47.86 80.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 120.168 1.349 . . . . 1.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.86 -43.52 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.2 m -58.92 -35.71 73.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.2 0.524 . . . . 1.0 110.299 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.25 -37.9 59.15 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.498 -1.041 . . . . 1.0 110.498 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.72 -38.47 75.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.238 0.542 . . . . 1.0 110.118 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -75.32 -32.16 60.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.148 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.5 m -61.1 -45.06 96.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.218 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -67.86 -34.86 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.448 -0.501 . . . . 1.0 109.98 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -69.43 140.72 54.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -74.05 141.62 45.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.673 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.955 -1.021 . . . . 1.0 109.819 179.466 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.23 93.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.056 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 54.16 30.85 12.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.693 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.71 144.35 49.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.986 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -109.77 140.46 43.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.676 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 44.28 86.79 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.523 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.44 147.98 28.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 1.0 110.795 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 10' ' ' PHE . 41.8 t -123.64 136.58 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.352 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.68 75.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.217 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -142.62 140.64 31.72 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.533 0.938 . . . . 1.0 113.533 -179.495 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -131.8 133.85 45.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.069 0.462 . . . . 1.0 110.315 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.46 122.43 36.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.52 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.04 132.56 49.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.434 0.635 . . . . 1.0 112.268 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.0 t -98.76 125.66 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.023 -0.989 . . . . 1.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -122.8 152.12 61.87 Favored Pre-proline 0 C--N 1.338 0.079 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -48.22 -33.53 21.97 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 120.989 1.126 . . . . 1.0 110.211 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.13 -20.35 57.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.491 0.587 . . . . 1.0 111.957 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.77 -139.02 5.66 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 119.394 -1.384 . . . . 1.0 112.075 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.12 149.84 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -126.17 137.61 53.59 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.866 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mp -135.05 118.64 16.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.19 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.26 135.35 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.022 -0.99 . . . . 1.0 110.217 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.6 p -76.78 155.05 33.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.676 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -59.16 -27.43 65.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.445 0.64 . . . . 1.0 109.658 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -68.19 -39.52 82.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.809 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.75 72.88 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.197 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 28' ' ' LEU . 87.9 mt -70.16 -39.24 75.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.309 -0.859 . . . . 1.0 110.652 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.69 -39.27 93.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.79 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -69.68 -43.41 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.994 0.361 . . . . 1.0 110.483 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.22 -45.61 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 118.94 -0.552 . . . . 1.0 112.159 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -62.85 -49.49 74.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 119.855 1.207 . . . . 1.0 111.139 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.35 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.693 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.1 t -60.39 -36.78 78.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.228 0.537 . . . . 1.0 109.767 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.52 -36.04 59.13 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.226 -1.15 . . . . 1.0 110.226 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.47 -38.16 83.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.37 -0.415 . . . . 1.0 110.482 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' LYS . 96.3 m-70 -75.71 -31.46 59.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.714 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 m -62.18 -44.73 95.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.618 -0.719 . . . . 1.0 109.828 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.2 t90 -67.67 -35.94 79.79 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.864 -0.334 . . . . 1.0 110.867 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' HIS . 88.5 tttt -136.34 133.01 36.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 1.0 111.237 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -74.85 131.12 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.336 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.259 -179.664 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mmm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.09 96.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -115.97 135.37 54.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.796 0.332 . . . . 1.0 110.403 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.7 88.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.35 -0.386 . . . . 1.0 109.969 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -100.76 131.41 46.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.587 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -68.53 130.92 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.158 0.504 . . . . 1.0 110.601 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.9 -9.44 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.4 t -124.9 133.87 68.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.469 0.652 . . . . 1.0 111.239 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.64 66.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.103 -0.953 . . . . 1.0 110.768 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 2.5 t80 -134.64 129.17 34.46 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.703 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 56.0 tt0 -130.84 135.45 47.74 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 1.0 110.998 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -129.84 122.51 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.687 -1.142 . . . . 1.0 110.583 -179.208 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.04 132.85 47.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.715 0.769 . . . . 1.0 112.058 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 19' ' ' ILE . 49.9 t -98.09 125.68 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.473 -1.24 . . . . 1.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.82 155.44 66.77 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -47.13 -38.56 25.15 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.551 1.5 . . . . 1.0 110.722 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -74.7 -19.34 60.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.557 0.617 . . . . 1.0 112.356 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.31 -137.4 4.9 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.42 -1.371 . . . . 1.0 111.898 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.462 HG22 HG22 ' A' ' 14' ' ' VAL . 36.3 pt -133.64 151.71 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.364 0.602 . . . . 1.0 109.577 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -129.67 139.23 51.43 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.109 -0.95 . . . . 1.0 109.65 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.83 125.87 24.42 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.343 -0.543 . . . . 1.0 109.609 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -120.71 136.18 54.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.81 134.57 33.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.825 -1.08 . . . . 1.0 110.071 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.1 m -76.65 151.81 36.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.011 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -54.86 -28.0 46.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.342 0.591 . . . . 1.0 110.248 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.57 -37.73 77.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.361 -0.836 . . . . 1.0 109.843 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.18 -35.52 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.607 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 28' ' ' LEU . 11.2 mp -69.38 -39.74 77.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.036 -0.984 . . . . 1.0 110.46 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -64.06 -38.77 92.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.946 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -70.09 -41.74 73.64 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 118.839 0.745 . . . . 1.0 109.524 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.87 -46.27 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.122 -0.945 . . . . 1.0 112.105 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -61.61 -48.44 80.89 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 119.864 1.211 . . . . 1.0 110.792 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 33' ' ' LEU . 89.8 mt -63.71 -43.09 97.6 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.718 -0.393 . . . . 1.0 111.188 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.9 p -59.97 -34.5 73.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.135 0.493 . . . . 1.0 110.265 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.12 -36.0 56.89 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 110.58 -1.008 . . . . 1.0 110.58 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.2 tp -59.43 -38.82 81.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.052 0.453 . . . . 1.0 110.746 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -75.38 -33.38 61.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.394 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -60.61 -45.5 93.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.496 -0.775 . . . . 1.0 110.362 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -67.54 -35.72 79.62 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.092 -0.643 . . . . 1.0 110.477 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -76.4 132.49 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.758 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.87 136.81 33.96 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 117.895 -1.05 . . . . 1.0 109.86 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.52 148.94 46.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.557 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -62.0 -37.45 84.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.657 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.89 67.58 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.908 -0.317 . . . . 1.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -65.21 -39.76 93.24 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.82 -0.352 . . . . 1.0 110.267 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' OE1' ' OE1' ' A' ' 26' ' ' GLU . 88.2 mt-30 -88.95 28.2 1.22 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.332 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.69 -25.21 53.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.54 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.5 t -113.38 130.13 67.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.564 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.73 -19.39 5.78 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.656 0.265 . . . . 1.0 111.306 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 1.8 t80 -131.97 128.81 39.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.511 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.4 mm100 -132.11 133.93 44.87 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.553 0.692 . . . . 1.0 111.46 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 1.1 t80 -126.86 123.03 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.043 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.16 135.36 46.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.789 0.804 . . . . 1.0 113.109 -178.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 19' ' ' ILE . 53.1 t -98.94 124.91 52.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 114.408 -1.269 . . . . 1.0 110.1 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 157.96 58.97 Favored Pre-proline 0 C--N 1.341 0.212 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -50.35 -39.18 53.67 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.317 1.345 . . . . 1.0 110.422 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -74.53 -18.89 60.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.651 0.659 . . . . 1.0 111.97 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.27 -137.75 5.09 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 119.576 -1.297 . . . . 1.0 111.375 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.519 HG22 HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -133.33 152.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -128.71 138.5 52.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.01 -0.996 . . . . 1.0 110.303 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.17 121.39 19.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.522 -0.471 . . . . 1.0 109.937 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -116.6 138.29 51.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.372 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -139.18 132.99 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.714 -1.13 . . . . 1.0 110.463 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 m -75.92 151.23 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.315 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.52 -28.07 58.99 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.551 0.691 . . . . 1.0 109.44 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' OE1' ' OE1' ' A' ' 6' ' ' GLN . 97.1 mt-10 -68.26 -38.36 81.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.653 -1.158 . . . . 1.0 109.463 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.84 -33.13 73.6 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.148 0.499 . . . . 1.0 110.801 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.14 -38.19 75.46 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.8 -37.17 86.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.932 -0.576 . . . . 1.0 111.175 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -71.45 -41.55 69.31 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -64.15 -46.28 94.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.614 -0.721 . . . . 1.0 112.067 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.9 -48.19 77.6 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 119.965 1.257 . . . . 1.0 110.831 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.11 -43.32 99.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.5 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.1 p -61.1 -34.82 75.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.312 0.577 . . . . 1.0 110.44 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.36 -38.49 62.49 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.395 -1.082 . . . . 1.0 110.395 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.27 -37.31 82.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.087 0.47 . . . . 1.0 110.575 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -74.44 -33.17 62.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.588 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.3 m -62.29 -45.78 91.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.224 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -67.51 -35.12 78.49 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.085 -0.646 . . . . 1.0 110.295 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -76.99 144.92 38.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.016 0.436 . . . . 1.0 110.625 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.62 131.77 46.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 118.101 -0.952 . . . . 1.0 110.426 -179.608 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.44 145.41 35.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.427 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.42 -15.34 63.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -63.08 -40.9 99.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.566 -0.454 . . . . 1.0 110.338 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' VAL . 95.4 m-70 -66.09 -40.35 90.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.981 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -67.53 -38.5 84.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.879 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.58 -38.67 88.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.097 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 4' ' ' ALA . 3.4 m -117.63 128.84 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.845 0.355 . . . . 1.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.676 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -106.67 -22.98 12.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.0 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -137.88 132.69 32.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.198 -0.91 . . . . 1.0 111.971 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -128.9 133.89 48.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.167 0.508 . . . . 1.0 110.458 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.0 122.43 35.87 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.131 -0.94 . . . . 1.0 110.995 -178.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.51 130.82 49.84 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.53 0.681 . . . . 1.0 111.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.6 p -96.74 125.37 49.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.859 -1.064 . . . . 1.0 110.87 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -121.63 150.19 54.58 Favored Pre-proline 0 C--N 1.34 0.171 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -45.4 -35.91 12.49 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.051 1.167 . . . . 1.0 110.08 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.11 -19.37 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.557 0.617 . . . . 1.0 112.543 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.4 -138.83 5.73 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 119.635 -1.269 . . . . 1.0 111.17 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -133.72 149.58 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 121.395 0.617 . . . . 1.0 109.6 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -119.56 135.61 54.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.911 -1.04 . . . . 1.0 109.135 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -132.4 119.55 20.83 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -119.68 135.75 54.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.91 137.86 36.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.196 -0.911 . . . . 1.0 110.797 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -76.81 154.81 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.673 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -57.74 -29.71 64.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.612 0.72 . . . . 1.0 110.211 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.1 -38.22 82.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.731 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.676 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -61.65 -32.87 73.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.178 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.6 -39.54 77.18 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.776 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.09 -39.21 91.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.945 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -72.43 -44.41 62.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.144 0.497 . . . . 1.0 109.712 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.9 -44.95 98.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.393 -0.821 . . . . 1.0 111.986 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.21 -50.11 73.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 120.0 1.273 . . . . 1.0 110.476 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.06 -43.75 98.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.1 p -58.58 -35.26 72.11 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.457 -0.572 . . . . 1.0 109.457 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.51 -39.06 57.3 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.48 -1.048 . . . . 1.0 110.48 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.23 -38.04 79.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.012 0.434 . . . . 1.0 110.847 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -75.51 -32.46 60.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.73 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 m -65.6 -42.85 91.19 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.295 -0.412 . . . . 1.0 111.042 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -68.1 -20.45 64.93 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.516 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 53.39 67.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.314 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.32 132.87 54.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.016 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.918 -1.039 . . . . 1.0 111.123 -179.347 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.56 35.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.963 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 51.12 30.9 5.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.49 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.19 144.36 43.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.994 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.435 ' NE2' ' HB3' ' A' ' 7' ' ' ALA . 52.2 t60 -144.29 131.96 21.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.184 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -132.25 89.21 2.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.025 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' HB3' ' NE2' ' A' ' 5' ' ' HIS . . . -172.2 166.21 6.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.721 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.86 130.25 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.706 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.34 -46.13 64.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.652 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 1.6 t80 -140.38 127.66 21.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.696 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 58.9 tt0 -129.14 134.61 48.12 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.316 0.579 . . . . 1.0 110.811 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.46 122.43 37.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.632 -1.167 . . . . 1.0 110.183 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -128.1 131.59 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 1.0 111.52 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.2 p -97.56 124.17 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.463 -1.244 . . . . 1.0 110.549 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.85 156.68 46.21 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 108.467 -0.938 . . . . 1.0 108.467 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -23.13 59.52 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 121.396 1.397 . . . . 1.0 109.137 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 34.3 p30 -85.07 -17.95 35.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.151 0.432 . . . . 1.0 111.432 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 162.28 -139.64 6.08 Favored Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.748 -1.215 . . . . 1.0 111.926 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.2 pt -131.37 149.54 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.435 0.636 . . . . 1.0 109.483 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -124.67 134.23 52.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.559 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 mt -131.51 121.67 24.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.326 -0.991 . . . . 1.0 108.326 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -122.02 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -138.23 133.23 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.164 -0.925 . . . . 1.0 110.65 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.4 p -74.27 154.11 39.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 1.0 110.38 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -56.76 -27.29 59.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.347 0.594 . . . . 1.0 110.417 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.12 -39.58 82.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.393 -0.822 . . . . 1.0 109.292 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.06 69.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.193 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.37 -39.8 71.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.752 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.0 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.292 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -70.63 -41.27 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.175 0.443 . . . . 1.0 109.977 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.32 -45.91 94.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 118.907 -0.568 . . . . 1.0 112.13 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.739 ' CE2' HD11 ' A' ' 36' ' ' LEU . 66.8 t80 -62.5 -49.38 75.6 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 120.091 1.314 . . . . 1.0 111.176 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.17 -42.95 99.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.288 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.6 t -59.6 -37.93 79.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.247 0.546 . . . . 1.0 110.577 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.74 -35.91 66.65 Favored Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.361 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD11 ' CE2' ' A' ' 32' ' ' TYR . 28.5 mt -60.98 -37.15 81.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.874 0.368 . . . . 1.0 111.391 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -74.45 -33.24 62.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.989 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.4 m -62.58 -45.38 93.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.446 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -67.6 -35.92 79.89 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.336 -0.546 . . . . 1.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -83.62 142.82 30.54 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.801 0.334 . . . . 1.0 111.072 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.82 155.41 19.18 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.657 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.975 -1.012 . . . . 1.0 110.715 -179.613 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.699 -0.852 . . . . 1.0 108.699 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.14 148.76 47.07 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.686 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -113.99 121.97 45.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.716 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.64 148.78 44.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -123.41 140.68 52.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.027 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.73 -39.29 93.38 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.616 -0.434 . . . . 1.0 110.521 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.04 143.74 50.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.088 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -125.35 131.91 71.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.137 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.596 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -123.26 -14.58 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.064 0.459 . . . . 1.0 110.674 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -138.75 127.21 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.63 -0.714 . . . . 1.0 111.908 -179.399 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -132.4 134.09 44.71 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.547 0.689 . . . . 1.0 112.364 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -124.71 121.11 33.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.762 179.229 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 131.3 51.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.515 0.674 . . . . 1.0 111.662 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.5 p -97.37 123.84 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.094 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.0 156.29 56.93 Favored Pre-proline 0 N--CA 1.456 -0.134 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -50.25 -34.88 41.59 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 121.296 1.331 . . . . 1.0 110.009 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -76.25 -19.3 58.47 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.443 0.565 . . . . 1.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.84 -137.53 4.93 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 119.606 -1.283 . . . . 1.0 111.686 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.9 pt -133.84 150.68 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.0 t0 -125.44 138.84 54.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.717 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.489 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 76.6 mt -133.79 119.73 19.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.681 -0.859 . . . . 1.0 108.681 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -116.53 136.95 52.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.276 0.56 . . . . 1.0 110.675 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -136.98 134.33 36.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.968 -1.014 . . . . 1.0 109.305 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.8 p -80.75 153.69 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.953 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -60.35 -29.28 68.81 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.26 -37.41 80.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.614 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.596 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -61.31 -32.18 72.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 109.809 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.44 -40.27 70.49 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.316 -0.856 . . . . 1.0 110.818 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -61.75 -39.79 92.85 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.716 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.62 -42.31 74.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.24 0.473 . . . . 1.0 110.384 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 mm -62.92 -46.51 96.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.765 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -61.6 -49.45 76.54 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 119.92 1.236 . . . . 1.0 110.584 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.429 ' O ' ' ND1' ' A' ' 37' ' ' HIS . 91.3 mt -62.91 -44.93 94.74 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.671 -0.412 . . . . 1.0 111.003 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 m -59.87 -35.78 75.54 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.607 0.718 . . . . 1.0 109.523 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.79 -38.34 60.77 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 109.77 -1.332 . . . . 1.0 109.77 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.72 -36.79 79.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.236 0.541 . . . . 1.0 110.578 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 33' ' ' LEU . 80.8 m80 -76.98 -25.03 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.548 . . . . 1.0 109.596 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.4 m -69.52 0.73 4.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.63 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -83.63 -16.76 43.95 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.061 -0.656 . . . . 1.0 110.441 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -114.33 151.64 32.66 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.363 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.57 143.95 27.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.698 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.926 -1.035 . . . . 1.0 110.556 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.11 -0.7 . . . . 1.0 109.11 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' GLU . . . -63.08 -35.62 80.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.408 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' ALA . 77.1 tt0 40.04 98.56 0.0 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.874 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.96 156.93 39.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.22 129.75 52.01 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.289 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 57.02 -158.48 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.304 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.0 143.8 34.66 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.654 -0.419 . . . . 1.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -127.89 135.57 62.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.713 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.05 73.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.717 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -139.39 136.42 34.7 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.312 0.856 . . . . 1.0 113.312 -179.607 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -129.39 129.14 44.34 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.353 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -124.1 121.68 35.81 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.366 -0.834 . . . . 1.0 109.855 -179.6 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.9 133.35 46.81 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.805 0.812 . . . . 1.0 112.439 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -97.52 123.93 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.198 -1.365 . . . . 1.0 109.701 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.47 155.95 68.19 Favored Pre-proline 0 C--N 1.339 0.135 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -48.45 -34.52 26.0 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 121.535 1.49 . . . . 1.0 111.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.73 -17.34 57.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 119.014 0.825 . . . . 1.0 112.192 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.55 -136.28 4.43 Favored Glycine 0 C--N 1.342 0.874 0 C-N-CA 119.937 -1.125 . . . . 1.0 111.228 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -132.75 153.07 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 59.6 t0 -129.84 138.3 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.085 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -137.13 121.46 18.12 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.786 ' O ' HD13 ' A' ' 23' ' ' LEU . 44.6 ttm180 -119.3 136.09 54.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.314 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.89 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -135.68 132.53 37.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.81 -1.086 . . . . 1.0 109.413 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -75.76 151.78 37.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 1.0 110.462 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -55.83 -27.45 51.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.78 0.8 . . . . 1.0 109.743 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.25 -38.19 78.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.785 -1.098 . . . . 1.0 109.478 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.97 -32.52 72.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.143 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.73 -39.26 73.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.25 -0.887 . . . . 1.0 110.674 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.5 ttt-85 -59.92 -42.34 93.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.549 -0.751 . . . . 1.0 110.77 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.73 -41.89 74.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.312 0.506 . . . . 1.0 109.929 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.76 -45.53 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.69 0.626 . . . . 1.0 112.69 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -62.05 -49.35 76.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 119.949 1.249 . . . . 1.0 110.642 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.31 -42.97 99.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.6 m -57.61 -36.59 71.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.193 0.521 . . . . 1.0 110.304 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.47 -38.36 62.12 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.016 -1.234 . . . . 1.0 110.016 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.45 -37.25 82.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.461 . . . . 1.0 111.051 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -76.03 -31.95 59.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.698 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 m -63.06 -44.1 96.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.235 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -67.53 -34.67 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.405 -0.518 . . . . 1.0 110.123 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.13 137.35 58.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.836 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -84.6 137.89 33.03 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.13 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.965 -1.017 . . . . 1.0 110.679 179.695 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ALA . 66.1 mtt . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 108.753 -0.832 . . . . 1.0 108.753 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 53.26 105.28 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.962 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.27 -40.17 81.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.655 . . . . 1.0 111.045 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.31 145.36 56.31 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.862 -0.335 . . . . 1.0 110.43 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -86.68 -15.69 38.82 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.027 0.441 . . . . 1.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.41 -37.57 83.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.71 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.34 144.15 48.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.323 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.37 133.39 69.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.67 -0.695 . . . . 1.0 109.766 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.34 -40.34 74.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.698 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -143.36 132.32 22.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.845 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -130.17 132.77 46.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.372 0.606 . . . . 1.0 111.105 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -122.83 121.99 37.57 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.566 -1.197 . . . . 1.0 110.276 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.402 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -128.13 131.36 48.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.672 0.748 . . . . 1.0 110.92 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.7 p -97.12 123.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.355 -1.293 . . . . 1.0 110.032 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.92 151.94 61.96 Favored Pre-proline 0 CA--C 1.518 -0.281 0 C-N-CA 120.411 -0.516 . . . . 1.0 109.902 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.58 -36.06 23.85 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.196 1.264 . . . . 1.0 110.518 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 36.4 p30 -72.72 -22.08 60.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.614 0.366 . . . . 1.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.86 -137.72 5.03 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 119.733 -1.223 . . . . 1.0 111.151 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.2 pt -132.71 152.42 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.401 0.62 . . . . 1.0 109.458 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 50.8 t0 -127.56 137.09 52.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.086 -0.961 . . . . 1.0 110.208 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.3 mt -133.58 121.68 22.43 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -122.6 137.46 54.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.159 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.15 133.84 30.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.868 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -72.89 149.34 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.594 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -55.12 -28.06 49.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.28 0.562 . . . . 1.0 110.131 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.58 -36.11 80.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.412 -0.813 . . . . 1.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.26 76.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.823 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 28' ' ' LEU . 11.3 mp -68.25 -38.58 81.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.891 -1.049 . . . . 1.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -62.01 -42.84 99.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.199 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -69.86 -42.05 74.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.289 0.495 . . . . 1.0 109.778 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.69 -44.75 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.935 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.03 -49.19 75.58 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 119.897 1.226 . . . . 1.0 111.272 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.93 -43.39 98.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.642 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.8 m -59.56 -35.39 74.15 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.295 0.569 . . . . 1.0 109.671 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.85 -39.55 64.89 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.419 -1.072 . . . . 1.0 110.419 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 tp -61.28 -35.82 78.38 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.398 0.618 . . . . 1.0 111.512 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -77.76 -33.42 52.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.111 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.3 m -63.97 -41.81 97.45 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.379 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -66.81 -36.06 81.51 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.018 -0.673 . . . . 1.0 109.617 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -83.71 141.31 31.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.613 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -92.23 143.78 26.07 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.365 -0.826 . . . . 1.0 110.943 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.187 0.518 . . . . 1.0 109.969 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.29 140.06 58.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.498 -0.774 . . . . 1.0 110.631 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.19 -28.64 69.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.823 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.52 83.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.059 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -67.77 -44.95 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.585 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -123.14 127.72 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.38 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.07 148.79 48.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.137 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 p -128.07 133.66 66.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.034 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -116.63 -16.25 10.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.648 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -141.42 131.29 24.38 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.189 -179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -127.84 134.35 49.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.03 0.443 . . . . 1.0 109.889 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -127.14 121.77 32.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.852 -179.247 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -129.21 131.64 47.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.644 0.735 . . . . 1.0 112.059 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 14' ' ' VAL . 11.4 p -97.17 124.86 50.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.099 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.93 158.81 56.25 Favored Pre-proline 0 CA--C 1.519 -0.233 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.033 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.33 -38.18 51.85 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.171 1.247 . . . . 1.0 110.33 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.92 -17.54 59.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.537 0.569 . . . . 1.0 112.537 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.57 -138.81 5.71 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 119.76 -1.21 . . . . 1.0 111.342 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 pt -132.83 150.46 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 66.8 t0 -128.5 139.1 52.5 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 114.951 -1.022 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -134.57 120.61 19.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.442 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -120.04 138.03 53.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 1.0 111.364 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.39 137.12 32.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.449 -0.9 . . . . 1.0 111.07 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 m -76.67 148.66 36.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.468 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -54.62 -26.45 32.83 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.757 -0.831 . . . . 1.0 108.757 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.52 -38.12 83.78 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.122 -0.945 . . . . 1.0 109.743 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.814 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -60.41 -34.58 74.14 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.207 0.527 . . . . 1.0 110.377 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.75 -40.24 79.9 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.235 -0.893 . . . . 1.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -63.68 -40.35 96.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.951 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -70.29 -42.34 72.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.67 -46.36 96.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.68 -0.691 . . . . 1.0 112.103 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -60.98 -48.56 81.28 Favored 'General case' 0 N--CA 1.458 -0.048 0 CA-C-N 120.234 1.379 . . . . 1.0 110.747 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.47 -44.14 97.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.316 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.8 p -61.42 -34.5 75.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.324 0.583 . . . . 1.0 109.776 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.53 -39.07 57.19 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 109.491 -1.444 . . . . 1.0 109.491 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.33 -39.49 83.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.942 -0.629 . . . . 1.0 110.513 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -74.75 -30.41 61.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -64.86 -43.67 92.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.641 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -67.41 -35.73 79.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.34 -0.544 . . . . 1.0 109.951 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.12 145.48 44.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.335 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.93 144.83 27.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.155 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.762 -1.114 . . . . 1.0 110.103 179.233 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.02 93.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.458 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.76 146.31 48.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.423 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.93 96.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.456 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -118.98 130.56 55.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.439 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.21 -38.18 89.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.495 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.79 151.15 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.626 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -122.6 133.82 67.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.231 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.58 -40.04 73.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.666 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -140.89 138.06 33.63 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.351 0.871 . . . . 1.0 113.351 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -128.68 131.4 47.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.019 0.438 . . . . 1.0 110.076 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.9 122.08 36.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.516 -179.322 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 132.3 47.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.624 0.726 . . . . 1.0 112.055 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -97.56 124.93 50.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.606 -1.179 . . . . 1.0 109.959 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.69 155.47 63.04 Favored Pre-proline 0 N--CA 1.456 -0.128 0 N-CA-C 109.521 -0.548 . . . . 1.0 109.521 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -49.38 -36.01 37.21 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 121.25 1.3 . . . . 1.0 110.346 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -75.89 -18.98 59.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 118.502 0.592 . . . . 1.0 112.076 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.61 -138.59 5.51 Favored Glycine 0 C--N 1.338 0.655 0 C-N-CA 119.572 -1.299 . . . . 1.0 111.621 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.3 pt -132.85 149.69 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.761 ' C ' HD22 ' A' ' 21' ' ' LEU . 96.3 m-20 -121.81 134.95 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.461 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.761 HD22 ' C ' ' A' ' 20' ' ' ASP . 4.0 mm? -131.12 120.34 23.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.221 -1.029 . . . . 1.0 108.221 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.89 138.15 54.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 111.487 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -139.99 134.97 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.611 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -75.9 150.61 37.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.207 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.84 -27.16 62.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.58 0.705 . . . . 1.0 109.478 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.87 -34.48 75.53 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.093 -0.958 . . . . 1.0 109.461 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.01 74.85 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 122.993 1.378 . . . . 1.0 108.493 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.33 -39.84 77.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.211 -1.359 . . . . 1.0 110.224 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.72 -43.47 97.83 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.981 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.26 -40.35 81.95 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.869 0.842 . . . . 1.0 109.708 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.99 -46.48 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 119.266 -0.974 . . . . 1.0 111.853 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.88 -48.24 79.85 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.478 -1.389 . . . . 1.0 110.651 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.65 -42.67 99.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.891 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.9 p -59.0 -35.34 73.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.203 0.525 . . . . 1.0 110.104 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.89 -38.03 60.54 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.056 -1.218 . . . . 1.0 110.056 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.24 -37.5 80.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.329 -0.435 . . . . 1.0 110.932 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -75.65 -27.73 58.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 1.0 109.951 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -65.21 -4.98 5.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.703 -0.68 . . . . 1.0 109.921 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -68.36 -35.94 78.48 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.707 -0.397 . . . . 1.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt 55.54 99.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.6 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.42 142.53 39.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.559 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.551 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.109 -0.7 . . . . 1.0 109.109 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.13 90.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.969 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.57 133.71 42.21 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.15 145.59 54.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.519 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -132.21 128.48 38.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.76 0.314 . . . . 1.0 111.025 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -135.2 152.06 51.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.968 0.413 . . . . 1.0 110.366 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.76 132.02 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.529 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 8' ' ' VAL . 34.3 m -118.53 129.68 74.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.244 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -88.58 -27.95 21.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.056 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -140.85 131.79 26.06 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 120.259 -0.576 . . . . 1.0 112.252 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -128.02 130.71 48.73 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.952 0.406 . . . . 1.0 110.625 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -123.13 122.35 38.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.286 -0.87 . . . . 1.0 110.205 -179.471 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 131.79 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.403 0.62 . . . . 1.0 112.343 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -96.69 124.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.451 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.51 155.57 54.14 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -25.37 55.38 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 121.229 1.286 . . . . 1.0 109.789 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -83.64 -18.42 38.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 118.578 0.626 . . . . 1.0 110.623 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.81 -138.57 5.48 Favored Glycine 0 C--N 1.342 0.89 0 C-N-CA 119.959 -1.115 . . . . 1.0 111.583 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 pt -131.2 149.92 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -128.31 139.82 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.468 -0.787 . . . . 1.0 109.756 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.87 121.53 17.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.459 -0.497 . . . . 1.0 109.716 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -117.22 137.28 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.904 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -140.02 134.8 31.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.148 -0.933 . . . . 1.0 110.8 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 p -75.52 154.66 36.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.794 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -58.24 -26.91 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.623 0.725 . . . . 1.0 109.511 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -68.28 -39.36 82.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.597 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -61.28 -32.24 72.07 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 121.641 0.734 . . . . 1.0 110.137 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -71.72 -38.95 70.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.836 -1.075 . . . . 1.0 110.15 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -61.71 -40.83 96.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.427 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.17 -42.53 72.33 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.034 0.445 . . . . 1.0 109.978 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.34 -45.17 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 118.699 -0.667 . . . . 1.0 112.307 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.55 -47.89 81.89 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.369 1.441 . . . . 1.0 110.584 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.51 -44.32 97.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.314 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -61.03 -36.2 78.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.444 0.64 . . . . 1.0 110.056 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.33 -38.44 58.52 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.32 -38.93 81.51 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.141 0.496 . . . . 1.0 110.574 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -75.89 -33.15 59.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.079 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -61.98 -44.23 97.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.355 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -67.82 -35.8 79.26 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.008 -0.677 . . . . 1.0 109.698 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 61.83 143.29 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.702 -0.681 . . . . 1.0 111.21 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.95 142.26 35.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.677 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.5 tttp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.103 -0.951 . . . . 1.0 110.517 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.5 151.33 36.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -148.71 101.21 3.18 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.565 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.25 -43.66 60.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 1.0 112.081 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -117.67 160.2 21.69 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.837 0.351 . . . . 1.0 111.315 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -70.23 133.41 47.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.109 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.92 155.56 43.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.537 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -126.18 133.49 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.554 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.34 -38.78 74.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.172 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -142.89 137.57 29.61 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.807 -0.757 . . . . 1.0 112.783 -179.703 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -130.59 135.42 47.87 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.307 0.575 . . . . 1.0 110.618 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -126.07 120.98 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.596 -1.184 . . . . 1.0 110.289 -179.339 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.28 132.29 47.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.765 0.793 . . . . 1.0 111.59 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -97.15 126.28 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.45 -1.25 . . . . 1.0 110.662 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -122.16 153.02 61.19 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -50.08 -29.14 21.15 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.211 1.274 . . . . 1.0 110.622 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.1 -16.82 45.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.009 0.822 . . . . 1.0 111.661 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.45 -139.75 6.13 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.425 -1.369 . . . . 1.0 111.749 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 pt -132.98 152.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 61.9 t0 -129.75 138.33 51.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.422 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 80.1 mt -132.88 121.96 23.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 178.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -119.88 135.6 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.582 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mp -138.95 135.73 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.932 -1.031 . . . . 1.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -76.57 151.74 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.031 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -57.73 -27.35 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.704 0.764 . . . . 1.0 109.296 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -68.3 -38.34 81.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.67 -1.15 . . . . 1.0 109.857 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.37 -34.29 73.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.072 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.87 -40.03 79.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.437 -0.801 . . . . 1.0 110.987 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' HD13 ' A' ' 33' ' ' LEU . 78.5 ttt-85 -60.69 -41.87 95.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.177 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -68.35 -41.94 79.98 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 118.306 0.503 . . . . 1.0 109.957 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.63 -45.53 97.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.579 -0.737 . . . . 1.0 112.38 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -62.39 -49.66 74.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 119.929 1.241 . . . . 1.0 111.136 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 29' ' ' ARG . 5.6 mp -63.59 -41.92 98.32 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.71 -0.396 . . . . 1.0 111.508 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.5 p -61.25 -34.61 75.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.76 0.709 . . . . 1.0 109.972 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.03 -37.25 64.25 Favored Glycine 0 CA--C 1.518 0.246 0 N-CA-C 110.174 -1.17 . . . . 1.0 110.174 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.79 -37.5 82.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.17 -0.515 . . . . 1.0 111.082 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -75.94 -26.79 57.21 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.63 -0.507 . . . . 1.0 109.63 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -64.41 -6.4 7.12 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.363 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -68.23 -36.15 79.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.155 0.502 . . . . 1.0 110.689 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -73.84 131.82 41.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.515 -0.766 . . . . 1.0 109.886 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -74.19 138.95 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.717 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.586 -179.789 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 ttp . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.08 82.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.729 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.26 -22.92 65.28 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.611 -0.436 . . . . 1.0 110.994 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.35 -35.53 74.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.513 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -69.54 -36.81 76.7 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.749 -0.38 . . . . 1.0 110.767 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -68.36 141.85 55.64 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.664 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 139.55 57.6 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -125.83 127.06 70.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.501 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.18 -19.13 7.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -135.75 129.32 32.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 1.0 111.762 -179.459 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -133.41 132.73 41.5 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.624 0.726 . . . . 1.0 112.053 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.43 120.39 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.328 -1.305 . . . . 1.0 109.329 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 132.56 46.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.865 0.841 . . . . 1.0 112.408 -179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -97.18 125.38 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.82 153.95 73.4 Favored Pre-proline 0 C--N 1.34 0.196 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.85 -37.02 20.94 Favored 'Trans proline' 0 C--N 1.317 -1.132 0 C-N-CA 121.349 1.366 . . . . 1.0 110.553 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 48.6 p30 -71.44 -23.8 61.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.722 -0.611 . . . . 1.0 111.779 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.17 -136.27 4.35 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 119.905 -1.14 . . . . 1.0 111.137 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.3 pt -132.9 152.31 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -125.28 138.62 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.87 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -134.74 120.5 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.53 135.48 54.38 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.681 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -135.32 133.16 38.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.572 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -76.11 149.88 37.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.437 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -56.82 -26.89 59.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.957 0.884 . . . . 1.0 108.93 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.48 -38.62 81.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.582 -1.19 . . . . 1.0 109.61 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.11 70.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.064 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.2 mt -72.5 -39.57 67.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.086 -0.961 . . . . 1.0 110.894 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -62.43 -40.34 96.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.693 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.04 -43.07 75.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 118.386 0.539 . . . . 1.0 110.474 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -62.61 -45.63 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-O 118.741 -0.647 . . . . 1.0 112.455 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.2 -48.0 81.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 120.193 1.36 . . . . 1.0 110.689 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.21 -43.0 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -57.75 -39.71 77.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.125 0.488 . . . . 1.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.85 -35.75 61.66 Favored Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 109.97 -1.252 . . . . 1.0 109.97 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.33 -40.05 85.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 1.0 110.858 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -75.1 -29.81 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 1.0 109.656 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 m -64.09 -5.14 4.25 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.347 -0.842 . . . . 1.0 110.353 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -69.13 -35.83 76.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 1.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.11 132.52 47.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.704 -0.68 . . . . 1.0 110.797 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -87.48 145.61 26.18 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.071 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.895 -1.05 . . . . 1.0 111.107 -179.018 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 5' ' ' HIS . . . -66.41 140.79 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.704 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.33 -36.28 79.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.715 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.15 85.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.87 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 2' ' ' ALA . 49.7 m80 -111.84 127.87 55.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.663 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -120.99 122.03 39.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.752 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.01 -9.74 59.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.526 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG21 ' OE1' ' A' ' 11' ' ' GLN . 34.0 m -130.34 160.67 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.528 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -111.44 -21.93 11.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.233 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 2.2 t80 -135.54 129.8 33.59 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.794 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.9 mm100 -130.77 133.29 45.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.102 0.477 . . . . 1.0 111.011 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.74 122.78 37.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.944 -1.026 . . . . 1.0 110.217 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.12 132.45 47.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.62 0.724 . . . . 1.0 111.957 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 14' ' ' VAL . 9.1 p -97.1 124.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.497 -1.228 . . . . 1.0 110.073 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.84 156.67 61.76 Favored Pre-proline 0 N--CA 1.457 -0.115 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -49.79 -36.36 42.15 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 121.314 1.343 . . . . 1.0 110.427 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -75.93 -18.76 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.499 0.59 . . . . 1.0 111.978 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.88 -138.13 5.32 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 119.57 -1.3 . . . . 1.0 111.456 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.34 149.47 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 121.402 0.62 . . . . 1.0 109.336 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -124.36 138.28 54.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.454 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp -136.23 121.63 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -119.21 138.22 53.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.8 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' CD1' HD21 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -140.74 135.72 31.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.565 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.8 p -76.18 153.43 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.723 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -55.89 -28.18 55.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.507 0.67 . . . . 1.0 109.833 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.73 -35.23 76.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.922 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -63.77 -32.23 73.67 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.257 0.551 . . . . 1.0 109.967 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 23' ' ' LEU . 96.3 mt -71.83 -40.28 69.21 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.714 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -62.35 -37.93 87.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.664 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.57 -42.21 68.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 118.618 0.644 . . . . 1.0 109.821 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.58 -46.54 94.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.648 -0.705 . . . . 1.0 112.231 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -62.55 -48.46 79.4 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.067 1.303 . . . . 1.0 110.633 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.96 -42.78 99.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.146 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -58.06 -37.05 73.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.148 0.499 . . . . 1.0 110.299 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.63 -37.58 61.77 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.14 -1.184 . . . . 1.0 110.14 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.31 -37.4 80.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.167 -0.516 . . . . 1.0 110.798 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -76.24 -28.01 56.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.234 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 m -66.44 -1.63 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.656 -0.702 . . . . 1.0 109.935 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -72.9 -35.85 67.18 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.157 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -95.65 150.15 20.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.872 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.86 142.46 44.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.472 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.043 -0.98 . . . . 1.0 110.643 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.67 -0.493 . . . . 1.0 109.67 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.63 139.44 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.977 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -78.16 156.77 29.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.37 150.68 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.303 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -65.7 -43.21 89.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.585 . . . . 1.0 111.025 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -104.3 125.03 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.891 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.53 152.11 32.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.876 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 10' ' ' PHE . 55.7 t -125.99 135.79 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 1.0 110.478 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.23 74.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.093 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -141.35 138.76 33.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.566 -0.854 . . . . 1.0 113.298 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -128.74 130.62 47.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.1 122.23 36.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.56 135.98 46.29 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.05 126.09 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.783 -1.099 . . . . 1.0 110.267 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.97 156.17 66.17 Favored Pre-proline 0 C--N 1.339 0.13 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.13 -36.46 36.18 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.482 1.455 . . . . 1.0 110.749 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -76.93 -17.57 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.062 0.846 . . . . 1.0 111.613 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.96 -137.41 4.93 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 119.315 -1.422 . . . . 1.0 110.959 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 19' ' ' ILE . 43.2 pt -137.68 154.18 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.325 0.583 . . . . 1.0 109.614 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -129.54 140.42 51.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.847 -1.07 . . . . 1.0 110.732 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.04 124.63 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.78 -0.452 . . . . 1.0 109.78 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -124.33 142.42 51.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.391 0.615 . . . . 1.0 111.384 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pp -142.66 135.69 28.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.862 -1.063 . . . . 1.0 110.206 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 p -77.91 154.93 31.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -57.85 -29.02 64.65 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.849 0.833 . . . . 1.0 110.249 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -67.43 -39.51 85.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.509 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.72 -34.0 72.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.969 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.58 -38.62 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.4 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -63.21 -42.55 99.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.649 -0.705 . . . . 1.0 111.897 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -70.06 -41.28 74.37 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 118.749 0.704 . . . . 1.0 109.696 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.39 -44.81 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.359 -0.837 . . . . 1.0 112.313 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -61.26 -49.59 76.44 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 120.196 1.362 . . . . 1.0 111.132 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.52 -42.66 98.46 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.555 -0.458 . . . . 1.0 111.41 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.4 p -58.78 -34.75 71.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.294 0.569 . . . . 1.0 109.632 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.5 -39.4 61.14 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.072 -1.211 . . . . 1.0 110.072 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.01 -36.24 78.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 1.0 111.001 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -74.56 -26.03 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.019 0.437 . . . . 1.0 110.755 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 m -64.15 -2.68 2.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.015 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -78.21 -24.99 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.664 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -71.46 129.46 38.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.605 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -79.86 130.89 35.68 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.24 -0.584 . . . . 1.0 110.936 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.109 -0.948 . . . . 1.0 110.748 179.428 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.258 -0.645 . . . . 1.0 109.258 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.91 90.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.94 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -108.58 125.38 51.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.362 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.07 145.82 55.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.419 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -66.1 -41.09 91.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.46 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -115.12 127.79 55.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 1.0 109.558 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.82 142.45 23.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.9 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -127.61 129.96 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-O 120.966 0.412 . . . . 1.0 110.81 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.88 -45.17 64.85 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.671 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -143.35 144.73 32.2 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.527 0.936 . . . . 1.0 113.527 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -136.71 134.29 37.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.384 0.612 . . . . 1.0 111.17 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.48 120.95 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.624 -1.171 . . . . 1.0 109.67 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 132.62 46.96 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.646 0.736 . . . . 1.0 111.972 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -97.4 125.24 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.533 -1.212 . . . . 1.0 109.784 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.67 154.8 63.56 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -48.22 -37.19 30.99 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 121.234 1.29 . . . . 1.0 110.164 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.73 -19.52 60.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.367 0.531 . . . . 1.0 112.009 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.01 -138.48 5.49 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 119.547 -1.311 . . . . 1.0 111.718 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.5 pt -132.67 150.1 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -125.92 137.52 53.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.12 -0.946 . . . . 1.0 109.798 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.7 mt -132.51 122.71 25.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.087 -0.709 . . . . 1.0 109.087 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -124.76 138.72 54.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.416 0.626 . . . . 1.0 111.962 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.32 131.67 28.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.692 -1.14 . . . . 1.0 109.781 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -75.69 145.62 40.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.997 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -53.79 -26.44 23.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.717 0.77 . . . . 1.0 109.248 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.02 -37.66 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.037 . . . . 1.0 109.759 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.36 70.74 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.513 0.673 . . . . 1.0 109.607 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.49 -39.54 70.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.719 -1.128 . . . . 1.0 110.336 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.537 ' O ' HD13 ' A' ' 33' ' ' LEU . 59.3 ttp180 -62.97 -39.77 95.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.353 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.69 -41.32 72.15 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 118.421 0.555 . . . . 1.0 110.249 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.87 -44.88 98.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 118.798 -0.62 . . . . 1.0 112.061 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.02 -48.55 79.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 120.134 1.334 . . . . 1.0 111.359 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 29' ' ' ARG . 7.1 mp -62.83 -42.44 99.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.646 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.2 m -61.14 -36.08 78.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 118.493 0.588 . . . . 1.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.64 62.63 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.05 -1.22 . . . . 1.0 110.05 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.79 -36.21 80.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.178 -0.511 . . . . 1.0 110.876 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -75.25 -26.15 58.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.702 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -66.49 -4.74 9.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.533 -0.758 . . . . 1.0 110.066 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -69.86 -35.81 75.0 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.671 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -78.91 134.19 36.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.89 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.19 146.42 35.02 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.922 -1.037 . . . . 1.0 110.519 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 2' ' ' ALA . 65.6 mtt . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 54.72 109.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.629 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -138.83 149.71 45.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.865 0.364 . . . . 1.0 110.504 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.34 151.04 34.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.763 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -111.65 142.75 43.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.23 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -74.42 138.81 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.72 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.59 142.08 57.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.033 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.69 134.63 65.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.99 -37.44 72.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.747 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -141.56 134.0 28.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.571 -0.74 . . . . 1.0 112.752 -179.059 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -127.26 130.31 49.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.29 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -124.74 123.11 39.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.261 -179.499 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.4 133.59 44.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.913 0.863 . . . . 1.0 112.572 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 14' ' ' VAL . 13.1 p -98.61 123.55 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.125 -1.398 . . . . 1.0 110.048 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.61 156.82 60.9 Favored Pre-proline 0 C--N 1.338 0.085 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -49.31 -35.07 33.91 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.46 1.44 . . . . 1.0 110.726 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -77.21 -19.63 56.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 118.286 0.494 . . . . 1.0 112.172 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.37 -139.16 5.77 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 119.615 -1.279 . . . . 1.0 111.917 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.87 152.05 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -131.23 138.98 49.59 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.23 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.77 117.55 15.09 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.65 -0.42 . . . . 1.0 109.992 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -112.18 138.08 49.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.72 -0.673 . . . . 1.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.19 132.71 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.429 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 m -74.18 149.95 40.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.614 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -57.77 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.708 . . . . 1.0 109.351 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.72 -37.65 82.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.83 -33.95 73.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.167 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.6 mt -69.71 -39.2 77.02 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.387 -0.824 . . . . 1.0 110.976 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -63.78 -37.08 86.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.975 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.76 -43.0 69.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.264 0.484 . . . . 1.0 109.928 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.4 mt -62.28 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.491 -0.777 . . . . 1.0 111.864 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -65.29 -47.86 75.19 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 120.519 1.508 . . . . 1.0 110.506 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -60.31 -36.42 77.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.315 0.507 . . . . 1.0 110.256 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.88 -37.07 57.12 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.417 -1.073 . . . . 1.0 110.417 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.43 -37.67 81.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.892 -0.654 . . . . 1.0 110.847 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -76.57 -17.13 59.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.671 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 m -68.58 -6.02 23.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.734 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -72.67 -34.66 67.36 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.859 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.3 tttt 58.94 71.77 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.059 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -70.84 135.84 48.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.429 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 118.123 -0.942 . . . . 1.0 110.314 179.82 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mmm . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.64 138.59 50.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.188 0.518 . . . . 1.0 111.267 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 55.8 mp0 -68.25 -36.77 79.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.472 -0.786 . . . . 1.0 110.54 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.57 149.84 48.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.214 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -109.66 130.51 55.51 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.983 0.421 . . . . 1.0 111.017 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -73.8 139.51 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.219 0.533 . . . . 1.0 110.59 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.42 149.37 44.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.462 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -123.54 130.56 74.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.605 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -119.77 -19.71 7.89 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.97 -0.292 . . . . 1.0 111.413 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.606 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -133.57 130.51 38.5 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.905 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -133.33 135.59 44.89 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.731 -0.605 . . . . 1.0 110.933 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.69 122.66 36.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.459 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.88 128.72 45.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.242 0.544 . . . . 1.0 112.399 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 14' ' ' VAL . 12.0 p -97.73 125.76 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.314 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.95 158.74 56.52 Favored Pre-proline 0 C--O 1.233 0.216 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -51.13 -35.48 51.85 Favored 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.466 1.444 . . . . 1.0 110.183 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -75.84 -20.94 57.75 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.75 0.648 . . . . 1.0 112.75 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.67 -139.26 5.77 Favored Glycine 0 C--O 1.228 -0.274 0 C-N-CA 119.195 -1.478 . . . . 1.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.4 150.65 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.816 -0.809 . . . . 1.0 108.816 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -127.19 140.14 52.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.795 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.61 121.41 17.54 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -112.31 138.63 48.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.764 -0.653 . . . . 1.0 109.961 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -137.06 132.43 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.404 -0.816 . . . . 1.0 109.395 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 p -79.25 146.0 33.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.307 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -57.29 -27.18 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 1.0 109.552 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.27 -35.92 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.889 -1.051 . . . . 1.0 109.899 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.519 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -62.32 -33.16 74.15 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 121.362 0.601 . . . . 1.0 109.976 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.35 -39.18 81.95 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.13 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -60.48 -42.05 95.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.037 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.45 -42.74 74.51 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 118.413 0.551 . . . . 1.0 110.336 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.7 -46.41 96.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.478 -0.783 . . . . 1.0 112.317 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -61.78 -49.39 76.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 120.099 1.318 . . . . 1.0 111.255 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.89 -41.52 97.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.673 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.0 t -57.77 -37.83 74.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.264 0.484 . . . . 1.0 110.274 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.24 64.06 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.709 -0.957 . . . . 1.0 110.709 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.86 -37.26 81.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.475 -0.363 . . . . 1.0 111.13 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -75.66 -15.24 60.34 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.926 0.393 . . . . 1.0 110.467 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -69.37 -4.34 17.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.081 -0.509 . . . . 1.0 109.752 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -84.88 -17.0 39.29 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 119.911 -0.716 . . . . 1.0 110.177 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.4 tttp 56.51 75.37 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.324 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -69.62 133.47 47.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.933 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.778 -1.106 . . . . 1.0 110.872 179.525 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.702 -0.481 . . . . 1.0 109.702 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.15 23.77 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 1.0 110.556 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -66.4 136.04 55.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.983 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.28 143.98 57.44 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.294 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -112.61 136.41 52.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.445 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -116.06 128.06 55.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.032 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.91 151.7 48.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.02 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.0 m -130.09 164.87 31.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.447 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.52 -38.14 74.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.094 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -139.04 133.97 32.36 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.598 -0.728 . . . . 1.0 112.46 -179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' NE2' HH21 ' A' ' 22' ' ' ARG . 58.9 tt0 -131.09 136.38 48.35 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.363 0.601 . . . . 1.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -128.69 121.72 29.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.659 -1.155 . . . . 1.0 109.948 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 132.76 47.24 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.547 0.689 . . . . 1.0 112.188 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -97.01 124.73 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 CA-C-N 114.928 -1.033 . . . . 1.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.3 40.73 Favored Pre-proline 0 CA--C 1.515 -0.386 0 N-CA-C 109.065 -0.717 . . . . 1.0 109.065 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.54 -27.28 81.89 Favored 'Trans proline' 0 C--N 1.299 -2.027 0 C-N-CA 121.497 1.465 . . . . 1.0 109.433 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -83.47 -17.34 42.35 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.391 0.541 . . . . 1.0 111.477 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.94 -139.29 5.88 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 119.706 -1.235 . . . . 1.0 111.518 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -132.2 151.48 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.4 t0 -129.17 138.54 51.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.554 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -136.79 125.91 24.55 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.466 HH21 ' NE2' ' A' ' 11' ' ' GLN . 90.0 mtm180 -124.7 138.38 54.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.776 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -138.94 133.78 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.902 -1.045 . . . . 1.0 109.996 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -75.85 151.51 37.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.06 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -56.97 -28.08 61.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.614 0.721 . . . . 1.0 109.431 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.38 -37.73 80.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.973 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.53 70.36 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.363 0.602 . . . . 1.0 109.955 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 28' ' ' LEU . 85.7 mt -71.75 -39.63 69.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.316 -0.856 . . . . 1.0 109.809 178.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.94 -38.64 91.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.289 -0.869 . . . . 1.0 111.58 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -71.98 -41.99 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.589 0.631 . . . . 1.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.5 -44.97 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.905 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.97 -48.8 77.31 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 120.316 1.416 . . . . 1.0 110.832 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.68 -41.41 98.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 1.0 111.614 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -59.58 -37.35 78.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.182 0.515 . . . . 1.0 109.99 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.2 -35.35 57.15 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.405 -1.078 . . . . 1.0 110.405 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.72 -36.64 81.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.452 -0.374 . . . . 1.0 110.9 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -76.61 -19.04 58.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.967 0.413 . . . . 1.0 110.05 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -72.57 -2.87 21.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.34 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -72.91 -35.08 67.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.242 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -102.1 145.72 28.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.247 0.546 . . . . 1.0 111.055 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -76.12 142.8 41.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.679 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttp . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.334 -179.792 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 CA--C 1.522 -0.096 0 CA-C-O 121.101 0.477 . . . . 1.0 110.347 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.91 123.16 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.774 -1.103 . . . . 1.0 109.723 -179.329 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -130.51 132.76 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.535 0.684 . . . . 1.0 111.804 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.2 p -96.77 125.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.644 -1.162 . . . . 1.0 109.362 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.68 155.77 62.57 Favored Pre-proline 0 N--CA 1.451 -0.415 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -50.03 -36.62 45.28 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 121.32 1.347 . . . . 1.0 110.104 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -75.12 -19.61 59.83 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 118.097 0.408 . . . . 1.0 112.034 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.09 -137.99 5.22 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 119.681 -1.247 . . . . 1.0 111.32 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 pt -132.41 150.2 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.6 t0 -128.3 138.36 52.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.195 -0.911 . . . . 1.0 109.511 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.498 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.8 mp -136.28 124.63 23.32 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -119.89 137.32 54.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.904 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -137.59 135.43 36.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.77 -1.104 . . . . 1.0 110.591 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -78.42 152.24 32.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.402 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -56.49 -28.54 60.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.559 0.695 . . . . 1.0 109.729 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.39 -37.82 80.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.888 -1.051 . . . . 1.0 110.445 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 121.361 0.6 . . . . 1.0 110.086 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 121.069 0.462 . . . . 1.0 110.315 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.46 122.43 36.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.52 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.04 132.56 49.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.434 0.635 . . . . 1.0 112.268 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.0 t -98.76 125.66 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.023 -0.989 . . . . 1.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -122.8 152.12 61.87 Favored Pre-proline 0 C--N 1.338 0.079 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -48.22 -33.53 21.97 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 120.989 1.126 . . . . 1.0 110.211 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.13 -20.35 57.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.491 0.587 . . . . 1.0 111.957 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.77 -139.02 5.66 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 119.394 -1.384 . . . . 1.0 112.075 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.12 149.84 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -126.17 137.61 53.59 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.866 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mp -135.05 118.64 16.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.19 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.26 135.35 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.022 -0.99 . . . . 1.0 110.217 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.6 p -76.78 155.05 33.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.676 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -59.16 -27.43 65.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.445 0.64 . . . . 1.0 109.658 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -68.19 -39.52 82.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.809 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.158 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.197 179.813 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -129.84 122.51 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.687 -1.142 . . . . 1.0 110.583 -179.208 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.04 132.85 47.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.715 0.769 . . . . 1.0 112.058 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 19' ' ' ILE . 49.9 t -98.09 125.68 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.473 -1.24 . . . . 1.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.82 155.44 66.77 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -47.13 -38.56 25.15 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.551 1.5 . . . . 1.0 110.722 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -74.7 -19.34 60.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.557 0.617 . . . . 1.0 112.356 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.31 -137.4 4.9 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.42 -1.371 . . . . 1.0 111.898 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.462 HG22 HG22 ' A' ' 14' ' ' VAL . 36.3 pt -133.64 151.71 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.364 0.602 . . . . 1.0 109.577 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -129.67 139.23 51.43 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.109 -0.95 . . . . 1.0 109.65 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.83 125.87 24.42 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.343 -0.543 . . . . 1.0 109.609 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -120.71 136.18 54.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.81 134.57 33.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.825 -1.08 . . . . 1.0 110.071 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.1 m -76.65 151.81 36.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.011 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -54.86 -28.0 46.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.342 0.591 . . . . 1.0 110.248 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.57 -37.73 77.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.361 -0.836 . . . . 1.0 109.843 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.607 -179.897 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.553 0.692 . . . . 1.0 111.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 1.1 t80 -126.86 123.03 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.043 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.16 135.36 46.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.789 0.804 . . . . 1.0 113.109 -178.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 19' ' ' ILE . 53.1 t -98.94 124.91 52.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 114.408 -1.269 . . . . 1.0 110.1 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 157.96 58.97 Favored Pre-proline 0 C--N 1.341 0.212 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -50.35 -39.18 53.67 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.317 1.345 . . . . 1.0 110.422 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -74.53 -18.89 60.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.651 0.659 . . . . 1.0 111.97 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.27 -137.75 5.09 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 119.576 -1.297 . . . . 1.0 111.375 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.519 HG22 HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -133.33 152.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -128.71 138.5 52.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.01 -0.996 . . . . 1.0 110.303 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.17 121.39 19.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.522 -0.471 . . . . 1.0 109.937 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -116.6 138.29 51.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.372 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -139.18 132.99 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.714 -1.13 . . . . 1.0 110.463 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 m -75.92 151.23 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.315 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.52 -28.07 58.99 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.551 0.691 . . . . 1.0 109.44 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.26 -38.36 81.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.653 -1.158 . . . . 1.0 109.463 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.148 0.499 . . . . 1.0 110.801 179.339 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.167 0.508 . . . . 1.0 110.458 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.0 122.43 35.87 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.131 -0.94 . . . . 1.0 110.995 -178.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.51 130.82 49.84 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.53 0.681 . . . . 1.0 111.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.6 p -96.74 125.37 49.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.859 -1.064 . . . . 1.0 110.87 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -121.63 150.19 54.58 Favored Pre-proline 0 C--N 1.34 0.171 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -45.4 -35.91 12.49 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.051 1.167 . . . . 1.0 110.08 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.11 -19.37 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.557 0.617 . . . . 1.0 112.543 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.4 -138.83 5.73 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 119.635 -1.269 . . . . 1.0 111.17 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -133.72 149.58 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 121.395 0.617 . . . . 1.0 109.6 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -119.56 135.61 54.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.911 -1.04 . . . . 1.0 109.135 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -132.4 119.55 20.83 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -119.68 135.75 54.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.91 137.86 36.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.196 -0.911 . . . . 1.0 110.797 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -76.81 154.81 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.673 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -57.74 -29.71 64.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.612 0.72 . . . . 1.0 110.211 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.1 -38.22 82.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.731 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.178 179.604 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 121.316 0.579 . . . . 1.0 110.811 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.46 122.43 37.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.632 -1.167 . . . . 1.0 110.183 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -128.1 131.59 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 1.0 111.52 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.2 p -97.56 124.17 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.463 -1.244 . . . . 1.0 110.549 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.85 156.68 46.21 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 108.467 -0.938 . . . . 1.0 108.467 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -23.13 59.52 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 121.396 1.397 . . . . 1.0 109.137 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 34.3 p30 -85.07 -17.95 35.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.151 0.432 . . . . 1.0 111.432 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 162.28 -139.64 6.08 Favored Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.748 -1.215 . . . . 1.0 111.926 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.2 pt -131.37 149.54 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.435 0.636 . . . . 1.0 109.483 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -124.67 134.23 52.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.559 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 mt -131.51 121.67 24.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.326 -0.991 . . . . 1.0 108.326 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -122.02 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -138.23 133.23 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.164 -0.925 . . . . 1.0 110.65 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.4 p -74.27 154.11 39.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 1.0 110.38 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -56.76 -27.29 59.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.347 0.594 . . . . 1.0 110.417 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.12 -39.58 82.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.393 -0.822 . . . . 1.0 109.292 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.193 179.708 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 121.547 0.689 . . . . 1.0 112.364 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -124.71 121.11 33.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.762 179.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 131.3 51.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.515 0.674 . . . . 1.0 111.662 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.5 p -97.37 123.84 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.094 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.0 156.29 56.93 Favored Pre-proline 0 N--CA 1.456 -0.134 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -50.25 -34.88 41.59 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 121.296 1.331 . . . . 1.0 110.009 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -76.25 -19.3 58.47 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.443 0.565 . . . . 1.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.84 -137.53 4.93 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 119.606 -1.283 . . . . 1.0 111.686 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.9 pt -133.84 150.68 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.0 t0 -125.44 138.84 54.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.717 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.489 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 76.6 mt -133.79 119.73 19.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.681 -0.859 . . . . 1.0 108.681 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -116.53 136.95 52.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.276 0.56 . . . . 1.0 110.675 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -136.98 134.33 36.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.968 -1.014 . . . . 1.0 109.305 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.8 p -80.75 153.69 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.953 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -60.35 -29.28 68.81 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.26 -37.41 80.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.614 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 109.809 179.209 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 120.847 0.356 . . . . 1.0 110.353 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -124.1 121.68 35.81 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.366 -0.834 . . . . 1.0 109.855 -179.6 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.9 133.35 46.81 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.805 0.812 . . . . 1.0 112.439 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -97.52 123.93 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.198 -1.365 . . . . 1.0 109.701 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.47 155.95 68.19 Favored Pre-proline 0 C--N 1.339 0.135 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -48.45 -34.52 26.0 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 121.535 1.49 . . . . 1.0 111.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.73 -17.34 57.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 119.014 0.825 . . . . 1.0 112.192 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.55 -136.28 4.43 Favored Glycine 0 C--N 1.342 0.874 0 C-N-CA 119.937 -1.125 . . . . 1.0 111.228 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -132.75 153.07 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 59.6 t0 -129.84 138.3 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.085 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -137.13 121.46 18.12 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.786 ' O ' HD13 ' A' ' 23' ' ' LEU . 44.6 ttm180 -119.3 136.09 54.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.314 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.89 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -135.68 132.53 37.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.81 -1.086 . . . . 1.0 109.413 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -75.76 151.78 37.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 1.0 110.462 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -55.83 -27.45 51.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.78 0.8 . . . . 1.0 109.743 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.25 -38.19 78.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.785 -1.098 . . . . 1.0 109.478 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.143 179.414 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 121.372 0.606 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -122.83 121.99 37.57 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.566 -1.197 . . . . 1.0 110.276 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.402 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -128.13 131.36 48.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.672 0.748 . . . . 1.0 110.92 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.7 p -97.12 123.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.355 -1.293 . . . . 1.0 110.032 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.92 151.94 61.96 Favored Pre-proline 0 CA--C 1.518 -0.281 0 C-N-CA 120.411 -0.516 . . . . 1.0 109.902 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.58 -36.06 23.85 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.196 1.264 . . . . 1.0 110.518 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 36.4 p30 -72.72 -22.08 60.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.614 0.366 . . . . 1.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.86 -137.72 5.03 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 119.733 -1.223 . . . . 1.0 111.151 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.2 pt -132.71 152.42 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.401 0.62 . . . . 1.0 109.458 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 50.8 t0 -127.56 137.09 52.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.086 -0.961 . . . . 1.0 110.208 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.3 mt -133.58 121.68 22.43 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -122.6 137.46 54.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.159 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.15 133.84 30.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.868 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -72.89 149.34 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.594 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -55.12 -28.06 49.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.28 0.562 . . . . 1.0 110.131 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.58 -36.11 80.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.412 -0.813 . . . . 1.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.823 179.745 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 121.03 0.443 . . . . 1.0 109.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -127.14 121.77 32.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.852 -179.247 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -129.21 131.64 47.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.644 0.735 . . . . 1.0 112.059 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 14' ' ' VAL . 11.4 p -97.17 124.86 50.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.099 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.93 158.81 56.25 Favored Pre-proline 0 CA--C 1.519 -0.233 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.033 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.33 -38.18 51.85 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.171 1.247 . . . . 1.0 110.33 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.92 -17.54 59.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.537 0.569 . . . . 1.0 112.537 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.57 -138.81 5.71 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 119.76 -1.21 . . . . 1.0 111.342 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 pt -132.83 150.46 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 66.8 t0 -128.5 139.1 52.5 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 114.951 -1.022 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -134.57 120.61 19.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.442 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -120.04 138.03 53.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 1.0 111.364 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.39 137.12 32.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.449 -0.9 . . . . 1.0 111.07 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 m -76.67 148.66 36.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.468 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -54.62 -26.45 32.83 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.757 -0.831 . . . . 1.0 108.757 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.52 -38.12 83.78 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.122 -0.945 . . . . 1.0 109.743 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.161 0 CA-C-O 121.207 0.527 . . . . 1.0 110.377 179.462 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.019 0.438 . . . . 1.0 110.076 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.9 122.08 36.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.516 -179.322 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 132.3 47.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.624 0.726 . . . . 1.0 112.055 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -97.56 124.93 50.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.606 -1.179 . . . . 1.0 109.959 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.69 155.47 63.04 Favored Pre-proline 0 N--CA 1.456 -0.128 0 N-CA-C 109.521 -0.548 . . . . 1.0 109.521 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -49.38 -36.01 37.21 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 121.25 1.3 . . . . 1.0 110.346 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -75.89 -18.98 59.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 118.502 0.592 . . . . 1.0 112.076 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.61 -138.59 5.51 Favored Glycine 0 C--N 1.338 0.655 0 C-N-CA 119.572 -1.299 . . . . 1.0 111.621 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.3 pt -132.85 149.69 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.761 ' C ' HD22 ' A' ' 21' ' ' LEU . 96.3 m-20 -121.81 134.95 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.461 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.761 HD22 ' C ' ' A' ' 20' ' ' ASP . 4.0 mm? -131.12 120.34 23.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.221 -1.029 . . . . 1.0 108.221 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.89 138.15 54.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 111.487 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -139.99 134.97 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.611 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -75.9 150.61 37.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.207 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.84 -27.16 62.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.58 0.705 . . . . 1.0 109.478 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.87 -34.48 75.53 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.093 -0.958 . . . . 1.0 109.461 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 122.993 1.378 . . . . 1.0 108.493 -179.265 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 120.952 0.406 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -123.13 122.35 38.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.286 -0.87 . . . . 1.0 110.205 -179.471 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 131.79 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.403 0.62 . . . . 1.0 112.343 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -96.69 124.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.451 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.51 155.57 54.14 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -25.37 55.38 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 121.229 1.286 . . . . 1.0 109.789 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -83.64 -18.42 38.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 118.578 0.626 . . . . 1.0 110.623 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.81 -138.57 5.48 Favored Glycine 0 C--N 1.342 0.89 0 C-N-CA 119.959 -1.115 . . . . 1.0 111.583 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 pt -131.2 149.92 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -128.31 139.82 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.468 -0.787 . . . . 1.0 109.756 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.87 121.53 17.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.459 -0.497 . . . . 1.0 109.716 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -117.22 137.28 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.904 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -140.02 134.8 31.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.148 -0.933 . . . . 1.0 110.8 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 p -75.52 154.66 36.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.794 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -58.24 -26.91 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.623 0.725 . . . . 1.0 109.511 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -68.28 -39.36 82.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.597 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 121.641 0.734 . . . . 1.0 110.137 179.586 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 121.307 0.575 . . . . 1.0 110.618 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -126.07 120.98 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.596 -1.184 . . . . 1.0 110.289 -179.339 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.28 132.29 47.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.765 0.793 . . . . 1.0 111.59 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -97.15 126.28 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.45 -1.25 . . . . 1.0 110.662 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -122.16 153.02 61.19 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -50.08 -29.14 21.15 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.211 1.274 . . . . 1.0 110.622 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.1 -16.82 45.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.009 0.822 . . . . 1.0 111.661 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.45 -139.75 6.13 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.425 -1.369 . . . . 1.0 111.749 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 pt -132.98 152.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 61.9 t0 -129.75 138.33 51.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.422 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 80.1 mt -132.88 121.96 23.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 178.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -119.88 135.6 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.582 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mp -138.95 135.73 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.932 -1.031 . . . . 1.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -76.57 151.74 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.031 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -57.73 -27.35 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.704 0.764 . . . . 1.0 109.296 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -68.3 -38.34 81.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.67 -1.15 . . . . 1.0 109.857 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.072 179.576 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.624 0.726 . . . . 1.0 112.053 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.43 120.39 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.328 -1.305 . . . . 1.0 109.329 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 132.56 46.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.865 0.841 . . . . 1.0 112.408 -179.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -97.18 125.38 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.82 153.95 73.4 Favored Pre-proline 0 C--N 1.34 0.196 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.85 -37.02 20.94 Favored 'Trans proline' 0 C--N 1.317 -1.132 0 C-N-CA 121.349 1.366 . . . . 1.0 110.553 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 48.6 p30 -71.44 -23.8 61.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.722 -0.611 . . . . 1.0 111.779 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.17 -136.27 4.35 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 119.905 -1.14 . . . . 1.0 111.137 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.3 pt -132.9 152.31 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -125.28 138.62 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.87 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -134.74 120.5 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.53 135.48 54.38 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.681 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -135.32 133.16 38.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.572 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -76.11 149.88 37.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.437 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -56.82 -26.89 59.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.957 0.884 . . . . 1.0 108.93 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.48 -38.62 81.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.582 -1.19 . . . . 1.0 109.61 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.064 179.699 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 121.102 0.477 . . . . 1.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.74 122.78 37.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.944 -1.026 . . . . 1.0 110.217 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.12 132.45 47.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.62 0.724 . . . . 1.0 111.957 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 14' ' ' VAL . 9.1 p -97.1 124.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.497 -1.228 . . . . 1.0 110.073 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.84 156.67 61.76 Favored Pre-proline 0 N--CA 1.457 -0.115 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -49.79 -36.36 42.15 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 121.314 1.343 . . . . 1.0 110.427 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -75.93 -18.76 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.499 0.59 . . . . 1.0 111.978 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.88 -138.13 5.32 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 119.57 -1.3 . . . . 1.0 111.456 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.34 149.47 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 121.402 0.62 . . . . 1.0 109.336 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -124.36 138.28 54.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.454 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp -136.23 121.63 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -119.21 138.22 53.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.8 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.74 135.72 31.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.565 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.8 p -76.18 153.43 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.723 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -55.89 -28.18 55.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.507 0.67 . . . . 1.0 109.833 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.73 -35.23 76.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.922 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 121.257 0.551 . . . . 1.0 109.967 179.376 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 . . . . . 0 N--CA 1.462 0.142 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.1 122.23 36.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.56 135.98 46.29 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.05 126.09 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.783 -1.099 . . . . 1.0 110.267 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.97 156.17 66.17 Favored Pre-proline 0 C--N 1.339 0.13 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.13 -36.46 36.18 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.482 1.455 . . . . 1.0 110.749 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -76.93 -17.57 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.062 0.846 . . . . 1.0 111.613 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.96 -137.41 4.93 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 119.315 -1.422 . . . . 1.0 110.959 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 19' ' ' ILE . 43.2 pt -137.68 154.18 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.325 0.583 . . . . 1.0 109.614 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -129.54 140.42 51.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.847 -1.07 . . . . 1.0 110.732 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.04 124.63 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.78 -0.452 . . . . 1.0 109.78 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -124.33 142.42 51.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.391 0.615 . . . . 1.0 111.384 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pp -142.66 135.69 28.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.862 -1.063 . . . . 1.0 110.206 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 p -77.91 154.93 31.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -57.85 -29.02 64.65 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.849 0.833 . . . . 1.0 110.249 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -67.43 -39.51 85.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.509 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.969 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 121.384 0.612 . . . . 1.0 111.17 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.48 120.95 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.624 -1.171 . . . . 1.0 109.67 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 132.62 46.96 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.646 0.736 . . . . 1.0 111.972 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -97.4 125.24 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.533 -1.212 . . . . 1.0 109.784 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.67 154.8 63.56 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -48.22 -37.19 30.99 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 121.234 1.29 . . . . 1.0 110.164 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.73 -19.52 60.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.367 0.531 . . . . 1.0 112.009 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.01 -138.48 5.49 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 119.547 -1.311 . . . . 1.0 111.718 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.5 pt -132.67 150.1 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -125.92 137.52 53.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.12 -0.946 . . . . 1.0 109.798 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.7 mt -132.51 122.71 25.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.087 -0.709 . . . . 1.0 109.087 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -124.76 138.72 54.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.416 0.626 . . . . 1.0 111.962 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.32 131.67 28.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.692 -1.14 . . . . 1.0 109.781 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -75.69 145.62 40.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.997 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -53.79 -26.44 23.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.717 0.77 . . . . 1.0 109.248 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.02 -37.66 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.037 . . . . 1.0 109.759 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 121.513 0.673 . . . . 1.0 109.607 179.724 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--O 1.228 -0.068 0 CA-C-O 120.696 0.284 . . . . 1.0 110.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -124.74 123.11 39.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.261 -179.499 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.4 133.59 44.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.913 0.863 . . . . 1.0 112.572 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 14' ' ' VAL . 13.1 p -98.61 123.55 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.125 -1.398 . . . . 1.0 110.048 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.61 156.82 60.9 Favored Pre-proline 0 C--N 1.338 0.085 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -49.31 -35.07 33.91 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.46 1.44 . . . . 1.0 110.726 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -77.21 -19.63 56.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 118.286 0.494 . . . . 1.0 112.172 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.37 -139.16 5.77 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 119.615 -1.279 . . . . 1.0 111.917 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.87 152.05 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -131.23 138.98 49.59 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.23 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.77 117.55 15.09 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.65 -0.42 . . . . 1.0 109.992 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -112.18 138.08 49.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.72 -0.673 . . . . 1.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.19 132.71 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.429 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 m -74.18 149.95 40.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.614 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -57.77 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.708 . . . . 1.0 109.351 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.72 -37.65 82.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.167 179.594 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 121.02 0.438 . . . . 1.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.69 122.66 36.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.459 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.88 128.72 45.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.242 0.544 . . . . 1.0 112.399 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 14' ' ' VAL . 12.0 p -97.73 125.76 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.314 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.95 158.74 56.52 Favored Pre-proline 0 C--O 1.233 0.216 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -51.13 -35.48 51.85 Favored 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.466 1.444 . . . . 1.0 110.183 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -75.84 -20.94 57.75 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.75 0.648 . . . . 1.0 112.75 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.67 -139.26 5.77 Favored Glycine 0 C--O 1.228 -0.274 0 C-N-CA 119.195 -1.478 . . . . 1.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.4 150.65 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.816 -0.809 . . . . 1.0 108.816 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -127.19 140.14 52.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.795 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.61 121.41 17.54 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -112.31 138.63 48.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.764 -0.653 . . . . 1.0 109.961 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -137.06 132.43 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.404 -0.816 . . . . 1.0 109.395 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 p -79.25 146.0 33.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.307 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -57.29 -27.18 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 1.0 109.552 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.27 -35.92 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.889 -1.051 . . . . 1.0 109.899 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.103 0 CA-C-O 121.362 0.601 . . . . 1.0 109.976 179.572 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.466 ' NE2' HH21 ' A' ' 22' ' ' ARG . 58.9 tt0 . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.363 0.601 . . . . 1.0 110.997 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -128.69 121.72 29.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.659 -1.155 . . . . 1.0 109.948 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 132.76 47.24 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.547 0.689 . . . . 1.0 112.188 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -97.01 124.73 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 CA-C-N 114.928 -1.033 . . . . 1.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.3 40.73 Favored Pre-proline 0 CA--C 1.515 -0.386 0 N-CA-C 109.065 -0.717 . . . . 1.0 109.065 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.54 -27.28 81.89 Favored 'Trans proline' 0 C--N 1.299 -2.027 0 C-N-CA 121.497 1.465 . . . . 1.0 109.433 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -83.47 -17.34 42.35 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.391 0.541 . . . . 1.0 111.477 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.94 -139.29 5.88 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 119.706 -1.235 . . . . 1.0 111.518 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -132.2 151.48 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.4 t0 -129.17 138.54 51.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.554 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -136.79 125.91 24.55 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.466 HH21 ' NE2' ' A' ' 11' ' ' GLN . 90.0 mtm180 -124.7 138.38 54.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.776 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -138.94 133.78 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.902 -1.045 . . . . 1.0 109.996 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -75.85 151.51 37.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.06 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -56.97 -28.08 61.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.614 0.721 . . . . 1.0 109.431 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.38 -37.73 80.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.973 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 121.363 0.602 . . . . 1.0 109.955 179.686 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.78 141.44 55.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.341 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -133.94 150.53 51.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.231 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.55 91.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 1.0 110.598 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 8' ' ' VAL . 13.0 m-70 -61.36 -42.54 98.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.947 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -67.34 -40.93 85.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.099 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.05 93.51 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.151 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 5' ' ' HIS . 46.6 t -124.04 130.43 73.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.997 0.427 . . . . 1.0 111.224 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -115.21 -17.82 11.27 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.684 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -137.94 132.72 32.79 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.044 -0.663 . . . . 1.0 112.281 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -129.81 131.75 46.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.101 0.477 . . . . 1.0 110.347 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.91 123.16 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.774 -1.103 . . . . 1.0 109.723 -179.329 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -130.51 132.76 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.535 0.684 . . . . 1.0 111.804 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.2 p -96.77 125.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.644 -1.162 . . . . 1.0 109.362 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.68 155.77 62.57 Favored Pre-proline 0 N--CA 1.451 -0.415 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -50.03 -36.62 45.28 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 121.32 1.347 . . . . 1.0 110.104 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -75.12 -19.61 59.83 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 118.097 0.408 . . . . 1.0 112.034 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.09 -137.99 5.22 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 119.681 -1.247 . . . . 1.0 111.32 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 pt -132.41 150.2 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.6 t0 -128.3 138.36 52.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.195 -0.911 . . . . 1.0 109.511 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.498 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.8 mp -136.28 124.63 23.32 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -119.89 137.32 54.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.904 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -137.59 135.43 36.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.77 -1.104 . . . . 1.0 110.591 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -78.42 152.24 32.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.402 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -56.49 -28.54 60.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.559 0.695 . . . . 1.0 109.729 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.39 -37.82 80.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.888 -1.051 . . . . 1.0 110.445 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.702 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -62.36 -32.93 73.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.361 0.6 . . . . 1.0 110.086 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 28' ' ' LEU . 92.4 mt -69.47 -40.06 77.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -62.34 -40.15 95.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.255 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -69.06 -42.94 75.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 1.0 110.48 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.22 -44.92 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.557 -0.747 . . . . 1.0 112.491 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.19 -47.86 80.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 120.168 1.349 . . . . 1.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.86 -43.52 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.2 m -58.92 -35.71 73.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.2 0.524 . . . . 1.0 110.299 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.25 -37.9 59.15 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.498 -1.041 . . . . 1.0 110.498 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.72 -38.47 75.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.238 0.542 . . . . 1.0 110.118 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -75.32 -32.16 60.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.148 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.5 m -61.1 -45.06 96.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.218 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -67.86 -34.86 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.448 -0.501 . . . . 1.0 109.98 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -69.43 140.72 54.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -74.05 141.62 45.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.673 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.955 -1.021 . . . . 1.0 109.819 179.466 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.23 93.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.056 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 54.16 30.85 12.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.693 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.71 144.35 49.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.986 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -109.77 140.46 43.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.676 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 44.28 86.79 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.523 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.44 147.98 28.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 1.0 110.795 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 10' ' ' PHE . 41.8 t -123.64 136.58 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.352 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.68 75.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.217 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -142.62 140.64 31.72 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.533 0.938 . . . . 1.0 113.533 -179.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -131.8 133.85 45.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.069 0.462 . . . . 1.0 110.315 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.46 122.43 36.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.52 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.04 132.56 49.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.434 0.635 . . . . 1.0 112.268 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.0 t -98.76 125.66 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.023 -0.989 . . . . 1.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -122.8 152.12 61.87 Favored Pre-proline 0 C--N 1.338 0.079 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -48.22 -33.53 21.97 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 120.989 1.126 . . . . 1.0 110.211 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.13 -20.35 57.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.491 0.587 . . . . 1.0 111.957 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.77 -139.02 5.66 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 119.394 -1.384 . . . . 1.0 112.075 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.12 149.84 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -126.17 137.61 53.59 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.866 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mp -135.05 118.64 16.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.19 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.26 135.35 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.022 -0.99 . . . . 1.0 110.217 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.6 p -76.78 155.05 33.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.676 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -59.16 -27.43 65.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.445 0.64 . . . . 1.0 109.658 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -68.19 -39.52 82.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.809 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.75 72.88 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.197 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 28' ' ' LEU . 87.9 mt -70.16 -39.24 75.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.309 -0.859 . . . . 1.0 110.652 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.69 -39.27 93.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.79 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -69.68 -43.41 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.994 0.361 . . . . 1.0 110.483 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.22 -45.61 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 118.94 -0.552 . . . . 1.0 112.159 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -62.85 -49.49 74.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 119.855 1.207 . . . . 1.0 111.139 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.35 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.693 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.1 t -60.39 -36.78 78.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.228 0.537 . . . . 1.0 109.767 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.52 -36.04 59.13 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.226 -1.15 . . . . 1.0 110.226 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.47 -38.16 83.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.37 -0.415 . . . . 1.0 110.482 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' LYS . 96.3 m-70 -75.71 -31.46 59.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.714 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 m -62.18 -44.73 95.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.618 -0.719 . . . . 1.0 109.828 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.2 t90 -67.67 -35.94 79.79 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.864 -0.334 . . . . 1.0 110.867 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' HIS . 88.5 tttt -136.34 133.01 36.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 1.0 111.237 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -74.85 131.12 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.336 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.259 -179.664 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mmm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.09 96.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -115.97 135.37 54.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.796 0.332 . . . . 1.0 110.403 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.7 88.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.35 -0.386 . . . . 1.0 109.969 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -100.76 131.41 46.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.587 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -68.53 130.92 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.158 0.504 . . . . 1.0 110.601 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.9 -9.44 59.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.4 t -124.9 133.87 68.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.469 0.652 . . . . 1.0 111.239 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.64 66.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.103 -0.953 . . . . 1.0 110.768 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 2.5 t80 -134.64 129.17 34.46 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.703 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 56.0 tt0 -130.84 135.45 47.74 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 1.0 110.998 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -129.84 122.51 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.687 -1.142 . . . . 1.0 110.583 -179.208 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.04 132.85 47.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.715 0.769 . . . . 1.0 112.058 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 19' ' ' ILE . 49.9 t -98.09 125.68 51.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.473 -1.24 . . . . 1.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.82 155.44 66.77 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -47.13 -38.56 25.15 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.551 1.5 . . . . 1.0 110.722 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -74.7 -19.34 60.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.557 0.617 . . . . 1.0 112.356 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.31 -137.4 4.9 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.42 -1.371 . . . . 1.0 111.898 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.462 HG22 HG22 ' A' ' 14' ' ' VAL . 36.3 pt -133.64 151.71 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.364 0.602 . . . . 1.0 109.577 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -129.67 139.23 51.43 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.109 -0.95 . . . . 1.0 109.65 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.83 125.87 24.42 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.343 -0.543 . . . . 1.0 109.609 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -120.71 136.18 54.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.81 134.57 33.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.825 -1.08 . . . . 1.0 110.071 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.1 m -76.65 151.81 36.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.011 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -54.86 -28.0 46.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.342 0.591 . . . . 1.0 110.248 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.57 -37.73 77.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.361 -0.836 . . . . 1.0 109.843 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.18 -35.52 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.607 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 28' ' ' LEU . 11.2 mp -69.38 -39.74 77.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.036 -0.984 . . . . 1.0 110.46 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -64.06 -38.77 92.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.946 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -70.09 -41.74 73.64 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 118.839 0.745 . . . . 1.0 109.524 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.87 -46.27 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.122 -0.945 . . . . 1.0 112.105 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -61.61 -48.44 80.89 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 119.864 1.211 . . . . 1.0 110.792 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 33' ' ' LEU . 89.8 mt -63.71 -43.09 97.6 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.718 -0.393 . . . . 1.0 111.188 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.9 p -59.97 -34.5 73.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.135 0.493 . . . . 1.0 110.265 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.12 -36.0 56.89 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 110.58 -1.008 . . . . 1.0 110.58 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.2 tp -59.43 -38.82 81.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.052 0.453 . . . . 1.0 110.746 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -75.38 -33.38 61.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.394 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -60.61 -45.5 93.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.496 -0.775 . . . . 1.0 110.362 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -67.54 -35.72 79.62 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.092 -0.643 . . . . 1.0 110.477 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -76.4 132.49 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.758 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.87 136.81 33.96 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 117.895 -1.05 . . . . 1.0 109.86 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.52 148.94 46.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.557 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -62.0 -37.45 84.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.657 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.89 67.58 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.908 -0.317 . . . . 1.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -65.21 -39.76 93.24 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.82 -0.352 . . . . 1.0 110.267 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' OE1' ' OE1' ' A' ' 26' ' ' GLU . 88.2 mt-30 -88.95 28.2 1.22 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.332 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.69 -25.21 53.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.54 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.501 HG13 HE21 ' A' ' 11' ' ' GLN . 50.5 t -113.38 130.13 67.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.564 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.73 -19.39 5.78 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.656 0.265 . . . . 1.0 111.306 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 1.8 t80 -131.97 128.81 39.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.511 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.501 HE21 HG13 ' A' ' 8' ' ' VAL . 88.2 mm-40 -132.11 133.93 44.87 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.553 0.692 . . . . 1.0 111.46 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 1.1 t80 -126.86 123.03 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.043 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.16 135.36 46.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.789 0.804 . . . . 1.0 113.109 -178.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 19' ' ' ILE . 53.1 t -98.94 124.91 52.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 114.408 -1.269 . . . . 1.0 110.1 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 157.96 58.97 Favored Pre-proline 0 C--N 1.341 0.212 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -50.35 -39.18 53.67 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.317 1.345 . . . . 1.0 110.422 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -74.53 -18.89 60.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.651 0.659 . . . . 1.0 111.97 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.27 -137.75 5.09 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 119.576 -1.297 . . . . 1.0 111.375 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.519 HG22 HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -133.33 152.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -128.71 138.5 52.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.01 -0.996 . . . . 1.0 110.303 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.17 121.39 19.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.522 -0.471 . . . . 1.0 109.937 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -116.6 138.29 51.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.372 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -139.18 132.99 30.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.714 -1.13 . . . . 1.0 110.463 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 m -75.92 151.23 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.315 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.52 -28.07 58.99 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.551 0.691 . . . . 1.0 109.44 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' OE1' ' OE1' ' A' ' 6' ' ' GLN . 97.1 mt-10 -68.26 -38.36 81.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.653 -1.158 . . . . 1.0 109.463 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.84 -33.13 73.6 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.148 0.499 . . . . 1.0 110.801 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.14 -38.19 75.46 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.8 -37.17 86.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.932 -0.576 . . . . 1.0 111.175 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -71.45 -41.55 69.31 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -64.15 -46.28 94.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.614 -0.721 . . . . 1.0 112.067 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.9 -48.19 77.6 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 119.965 1.257 . . . . 1.0 110.831 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.11 -43.32 99.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.5 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.1 p -61.1 -34.82 75.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.312 0.577 . . . . 1.0 110.44 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.36 -38.49 62.49 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.395 -1.082 . . . . 1.0 110.395 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.27 -37.31 82.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.087 0.47 . . . . 1.0 110.575 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -74.44 -33.17 62.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.588 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.3 m -62.29 -45.78 91.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.224 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -67.51 -35.12 78.49 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.085 -0.646 . . . . 1.0 110.295 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -76.99 144.92 38.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.016 0.436 . . . . 1.0 110.625 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.62 131.77 46.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 118.101 -0.952 . . . . 1.0 110.426 -179.608 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.44 145.41 35.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.427 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.42 -15.34 63.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -63.08 -40.9 99.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.566 -0.454 . . . . 1.0 110.338 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' VAL . 95.4 m-70 -66.09 -40.35 90.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.981 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -67.53 -38.5 84.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.879 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.58 -38.67 88.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.097 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 4' ' ' ALA . 3.4 m -117.63 128.84 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.845 0.355 . . . . 1.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.676 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -106.67 -22.98 12.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.0 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -137.88 132.69 32.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.198 -0.91 . . . . 1.0 111.971 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -128.9 133.89 48.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.167 0.508 . . . . 1.0 110.458 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.0 122.43 35.87 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.131 -0.94 . . . . 1.0 110.995 -178.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.51 130.82 49.84 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.53 0.681 . . . . 1.0 111.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.6 p -96.74 125.37 49.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 114.859 -1.064 . . . . 1.0 110.87 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -121.63 150.19 54.58 Favored Pre-proline 0 C--N 1.34 0.171 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -45.4 -35.91 12.49 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.051 1.167 . . . . 1.0 110.08 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.11 -19.37 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.557 0.617 . . . . 1.0 112.543 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.4 -138.83 5.73 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 119.635 -1.269 . . . . 1.0 111.17 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -133.72 149.58 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 121.395 0.617 . . . . 1.0 109.6 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -119.56 135.61 54.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.911 -1.04 . . . . 1.0 109.135 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -132.4 119.55 20.83 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -119.68 135.75 54.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.91 137.86 36.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.196 -0.911 . . . . 1.0 110.797 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -76.81 154.81 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.673 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -57.74 -29.71 64.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.612 0.72 . . . . 1.0 110.211 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.1 -38.22 82.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.731 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.676 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -61.65 -32.87 73.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.178 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.6 -39.54 77.18 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.776 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.09 -39.21 91.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.945 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -72.43 -44.41 62.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.144 0.497 . . . . 1.0 109.712 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.9 -44.95 98.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.393 -0.821 . . . . 1.0 111.986 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.21 -50.11 73.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 120.0 1.273 . . . . 1.0 110.476 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.06 -43.75 98.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.1 p -58.58 -35.26 72.11 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.457 -0.572 . . . . 1.0 109.457 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.51 -39.06 57.3 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.48 -1.048 . . . . 1.0 110.48 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.23 -38.04 79.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.012 0.434 . . . . 1.0 110.847 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -75.51 -32.46 60.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.73 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 m -65.6 -42.85 91.19 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.295 -0.412 . . . . 1.0 111.042 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -68.1 -20.45 64.93 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.516 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 53.39 67.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.314 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.32 132.87 54.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.016 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.918 -1.039 . . . . 1.0 111.123 -179.347 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.56 35.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.963 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 51.12 30.9 5.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.49 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.19 144.36 43.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.994 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.633 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 53.8 t-80 -144.29 131.96 21.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.184 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -132.25 89.21 2.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.025 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.633 ' HB3' ' CE1' ' A' ' 5' ' ' HIS . . . -172.2 166.21 6.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.721 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.86 130.25 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.706 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.34 -46.13 64.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.652 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 1.6 t80 -140.38 127.66 21.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.696 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 58.9 tt0 -129.14 134.61 48.12 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.316 0.579 . . . . 1.0 110.811 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.46 122.43 37.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.632 -1.167 . . . . 1.0 110.183 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -128.1 131.59 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 1.0 111.52 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.2 p -97.56 124.17 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.463 -1.244 . . . . 1.0 110.549 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.85 156.68 46.21 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 108.467 -0.938 . . . . 1.0 108.467 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -23.13 59.52 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 121.396 1.397 . . . . 1.0 109.137 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 34.3 p30 -85.07 -17.95 35.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.151 0.432 . . . . 1.0 111.432 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 162.28 -139.64 6.08 Favored Glycine 0 C--N 1.338 0.661 0 C-N-CA 119.748 -1.215 . . . . 1.0 111.926 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.2 pt -131.37 149.54 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.435 0.636 . . . . 1.0 109.483 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -124.67 134.23 52.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.559 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 mt -131.51 121.67 24.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.326 -0.991 . . . . 1.0 108.326 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -122.02 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -138.23 133.23 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.164 -0.925 . . . . 1.0 110.65 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.4 p -74.27 154.11 39.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 1.0 110.38 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -56.76 -27.29 59.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.347 0.594 . . . . 1.0 110.417 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.12 -39.58 82.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.393 -0.822 . . . . 1.0 109.292 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.06 69.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.193 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.37 -39.8 71.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.752 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.0 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.292 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -70.63 -41.27 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.175 0.443 . . . . 1.0 109.977 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.32 -45.91 94.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 118.907 -0.568 . . . . 1.0 112.13 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.739 ' CE2' HD11 ' A' ' 36' ' ' LEU . 66.8 t80 -62.5 -49.38 75.6 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 120.091 1.314 . . . . 1.0 111.176 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.17 -42.95 99.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.288 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.6 t -59.6 -37.93 79.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.247 0.546 . . . . 1.0 110.577 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.74 -35.91 66.65 Favored Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.361 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD11 ' CE2' ' A' ' 32' ' ' TYR . 28.5 mt -60.98 -37.15 81.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.874 0.368 . . . . 1.0 111.391 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -74.45 -33.24 62.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.989 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.4 m -62.58 -45.38 93.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.446 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -67.6 -35.92 79.89 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.336 -0.546 . . . . 1.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -83.62 142.82 30.54 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.801 0.334 . . . . 1.0 111.072 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.82 155.41 19.18 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.657 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.975 -1.012 . . . . 1.0 110.715 -179.613 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.699 -0.852 . . . . 1.0 108.699 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.14 148.76 47.07 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.686 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -113.99 121.97 45.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.716 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.64 148.78 44.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -123.41 140.68 52.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.027 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.73 -39.29 93.38 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.616 -0.434 . . . . 1.0 110.521 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.04 143.74 50.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.088 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -125.35 131.91 71.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.137 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.596 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -123.26 -14.58 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.064 0.459 . . . . 1.0 110.674 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -138.75 127.21 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.63 -0.714 . . . . 1.0 111.908 -179.399 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -132.4 134.09 44.71 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.547 0.689 . . . . 1.0 112.364 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -124.71 121.11 33.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.762 179.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 131.3 51.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.515 0.674 . . . . 1.0 111.662 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.5 p -97.37 123.84 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.094 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.0 156.29 56.93 Favored Pre-proline 0 N--CA 1.456 -0.134 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -50.25 -34.88 41.59 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 121.296 1.331 . . . . 1.0 110.009 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -76.25 -19.3 58.47 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.443 0.565 . . . . 1.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.84 -137.53 4.93 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 119.606 -1.283 . . . . 1.0 111.686 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.9 pt -133.84 150.68 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.0 t0 -125.44 138.84 54.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.717 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.489 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 76.6 mt -133.79 119.73 19.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.681 -0.859 . . . . 1.0 108.681 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -116.53 136.95 52.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.276 0.56 . . . . 1.0 110.675 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -136.98 134.33 36.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.968 -1.014 . . . . 1.0 109.305 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.8 p -80.75 153.69 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.953 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -60.35 -29.28 68.81 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.26 -37.41 80.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.614 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.596 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -61.31 -32.18 72.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 109.809 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.44 -40.27 70.49 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.316 -0.856 . . . . 1.0 110.818 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -61.75 -39.79 92.85 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.716 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.62 -42.31 74.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.24 0.473 . . . . 1.0 110.384 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 mm -62.92 -46.51 96.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.765 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -61.6 -49.45 76.54 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 119.92 1.236 . . . . 1.0 110.584 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.429 ' O ' ' ND1' ' A' ' 37' ' ' HIS . 91.3 mt -62.91 -44.93 94.74 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.671 -0.412 . . . . 1.0 111.003 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 m -59.87 -35.78 75.54 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.607 0.718 . . . . 1.0 109.523 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.79 -38.34 60.77 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 109.77 -1.332 . . . . 1.0 109.77 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.72 -36.79 79.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.236 0.541 . . . . 1.0 110.578 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 33' ' ' LEU . 80.8 m80 -76.98 -25.03 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.548 . . . . 1.0 109.596 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.4 m -69.52 0.73 4.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.63 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -83.63 -16.76 43.95 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.061 -0.656 . . . . 1.0 110.441 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -114.33 151.64 32.66 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.363 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.57 143.95 27.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.698 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.926 -1.035 . . . . 1.0 110.556 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.11 -0.7 . . . . 1.0 109.11 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' GLU . . . -63.08 -35.62 80.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.408 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' ALA . 77.1 tt0 40.04 98.56 0.0 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.874 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.96 156.93 39.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.22 129.75 52.01 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.289 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 57.02 -158.48 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.304 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.0 143.8 34.66 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.654 -0.419 . . . . 1.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -127.89 135.57 62.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.713 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.05 73.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.717 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -139.39 136.42 34.7 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.312 0.856 . . . . 1.0 113.312 -179.607 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -129.39 129.14 44.34 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.353 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -124.1 121.68 35.81 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.366 -0.834 . . . . 1.0 109.855 -179.6 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.9 133.35 46.81 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.805 0.812 . . . . 1.0 112.439 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -97.52 123.93 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.198 -1.365 . . . . 1.0 109.701 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.47 155.95 68.19 Favored Pre-proline 0 C--N 1.339 0.135 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -48.45 -34.52 26.0 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 121.535 1.49 . . . . 1.0 111.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.73 -17.34 57.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 119.014 0.825 . . . . 1.0 112.192 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.55 -136.28 4.43 Favored Glycine 0 C--N 1.342 0.874 0 C-N-CA 119.937 -1.125 . . . . 1.0 111.228 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -132.75 153.07 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 59.6 t0 -129.84 138.3 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.085 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -137.13 121.46 18.12 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.786 ' O ' HD13 ' A' ' 23' ' ' LEU . 44.6 ttm180 -119.3 136.09 54.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.314 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.89 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -135.68 132.53 37.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.81 -1.086 . . . . 1.0 109.413 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -75.76 151.78 37.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 1.0 110.462 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -55.83 -27.45 51.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.78 0.8 . . . . 1.0 109.743 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.25 -38.19 78.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.785 -1.098 . . . . 1.0 109.478 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.97 -32.52 72.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.143 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.73 -39.26 73.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.25 -0.887 . . . . 1.0 110.674 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.5 ttt-85 -59.92 -42.34 93.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.549 -0.751 . . . . 1.0 110.77 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.73 -41.89 74.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.312 0.506 . . . . 1.0 109.929 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.76 -45.53 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.69 0.626 . . . . 1.0 112.69 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -62.05 -49.35 76.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 119.949 1.249 . . . . 1.0 110.642 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.31 -42.97 99.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.6 m -57.61 -36.59 71.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.193 0.521 . . . . 1.0 110.304 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.47 -38.36 62.12 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.016 -1.234 . . . . 1.0 110.016 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.45 -37.25 82.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.461 . . . . 1.0 111.051 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -76.03 -31.95 59.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.698 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 m -63.06 -44.1 96.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.235 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -67.53 -34.67 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.405 -0.518 . . . . 1.0 110.123 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.13 137.35 58.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.836 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -84.6 137.89 33.03 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.13 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.965 -1.017 . . . . 1.0 110.679 179.695 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ALA . 66.1 mtt . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 108.753 -0.832 . . . . 1.0 108.753 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 53.26 105.28 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.962 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.27 -40.17 81.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.655 . . . . 1.0 111.045 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.31 145.36 56.31 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.862 -0.335 . . . . 1.0 110.43 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -86.68 -15.69 38.82 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.027 0.441 . . . . 1.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.41 -37.57 83.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.71 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.34 144.15 48.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.323 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.37 133.39 69.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.67 -0.695 . . . . 1.0 109.766 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.34 -40.34 74.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.698 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -143.36 132.32 22.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.845 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -130.17 132.77 46.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.372 0.606 . . . . 1.0 111.105 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -122.83 121.99 37.57 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.566 -1.197 . . . . 1.0 110.276 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.402 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -128.13 131.36 48.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.672 0.748 . . . . 1.0 110.92 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.7 p -97.12 123.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.355 -1.293 . . . . 1.0 110.032 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.92 151.94 61.96 Favored Pre-proline 0 CA--C 1.518 -0.281 0 C-N-CA 120.411 -0.516 . . . . 1.0 109.902 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.58 -36.06 23.85 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.196 1.264 . . . . 1.0 110.518 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 36.4 p30 -72.72 -22.08 60.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.614 0.366 . . . . 1.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.86 -137.72 5.03 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 119.733 -1.223 . . . . 1.0 111.151 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.2 pt -132.71 152.42 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.401 0.62 . . . . 1.0 109.458 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 50.8 t0 -127.56 137.09 52.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.086 -0.961 . . . . 1.0 110.208 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.3 mt -133.58 121.68 22.43 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -122.6 137.46 54.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.159 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.15 133.84 30.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.108 -0.951 . . . . 1.0 110.868 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -72.89 149.34 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.594 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -55.12 -28.06 49.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.28 0.562 . . . . 1.0 110.131 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.58 -36.11 80.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.412 -0.813 . . . . 1.0 109.621 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.26 76.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.823 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 28' ' ' LEU . 11.3 mp -68.25 -38.58 81.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.891 -1.049 . . . . 1.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -62.01 -42.84 99.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.199 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -69.86 -42.05 74.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.289 0.495 . . . . 1.0 109.778 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.69 -44.75 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.935 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.03 -49.19 75.58 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 119.897 1.226 . . . . 1.0 111.272 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.93 -43.39 98.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.642 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.8 m -59.56 -35.39 74.15 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.295 0.569 . . . . 1.0 109.671 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.85 -39.55 64.89 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.419 -1.072 . . . . 1.0 110.419 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 tp -61.28 -35.82 78.38 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.398 0.618 . . . . 1.0 111.512 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -77.76 -33.42 52.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.111 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.3 m -63.97 -41.81 97.45 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.379 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -66.81 -36.06 81.51 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.018 -0.673 . . . . 1.0 109.617 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -83.71 141.31 31.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.613 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -92.23 143.78 26.07 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.365 -0.826 . . . . 1.0 110.943 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.187 0.518 . . . . 1.0 109.969 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.29 140.06 58.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.498 -0.774 . . . . 1.0 110.631 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.19 -28.64 69.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.823 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.52 83.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.059 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -67.77 -44.95 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.585 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -123.14 127.72 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.38 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.07 148.79 48.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.137 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 p -128.07 133.66 66.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.034 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -116.63 -16.25 10.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.648 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -141.42 131.29 24.38 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.189 -179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -127.84 134.35 49.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.03 0.443 . . . . 1.0 109.889 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -127.14 121.77 32.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.852 -179.247 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -129.21 131.64 47.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.644 0.735 . . . . 1.0 112.059 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 14' ' ' VAL . 11.4 p -97.17 124.86 50.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.099 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.93 158.81 56.25 Favored Pre-proline 0 CA--C 1.519 -0.233 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.033 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.33 -38.18 51.85 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.171 1.247 . . . . 1.0 110.33 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.92 -17.54 59.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.537 0.569 . . . . 1.0 112.537 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.57 -138.81 5.71 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 119.76 -1.21 . . . . 1.0 111.342 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 pt -132.83 150.46 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 66.8 t0 -128.5 139.1 52.5 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 114.951 -1.022 . . . . 1.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -134.57 120.61 19.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.442 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -120.04 138.03 53.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 1.0 111.364 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.39 137.12 32.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.449 -0.9 . . . . 1.0 111.07 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 m -76.67 148.66 36.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.468 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -54.62 -26.45 32.83 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.757 -0.831 . . . . 1.0 108.757 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.52 -38.12 83.78 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.122 -0.945 . . . . 1.0 109.743 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.814 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -60.41 -34.58 74.14 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.207 0.527 . . . . 1.0 110.377 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.75 -40.24 79.9 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.235 -0.893 . . . . 1.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -63.68 -40.35 96.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.951 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -70.29 -42.34 72.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.67 -46.36 96.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.68 -0.691 . . . . 1.0 112.103 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -60.98 -48.56 81.28 Favored 'General case' 0 N--CA 1.458 -0.048 0 CA-C-N 120.234 1.379 . . . . 1.0 110.747 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.47 -44.14 97.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.316 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.8 p -61.42 -34.5 75.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.324 0.583 . . . . 1.0 109.776 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.53 -39.07 57.19 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 109.491 -1.444 . . . . 1.0 109.491 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.33 -39.49 83.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.942 -0.629 . . . . 1.0 110.513 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -74.75 -30.41 61.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -64.86 -43.67 92.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.641 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -67.41 -35.73 79.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.34 -0.544 . . . . 1.0 109.951 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.12 145.48 44.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.335 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.93 144.83 27.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.155 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.762 -1.114 . . . . 1.0 110.103 179.233 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.02 93.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.458 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.76 146.31 48.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.423 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.93 96.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.456 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -118.98 130.56 55.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.439 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.21 -38.18 89.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.495 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.79 151.15 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.626 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -122.6 133.82 67.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.231 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.58 -40.04 73.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.666 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -140.89 138.06 33.63 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.351 0.871 . . . . 1.0 113.351 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -128.68 131.4 47.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.019 0.438 . . . . 1.0 110.076 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -124.9 122.08 36.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.516 -179.322 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 132.3 47.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.624 0.726 . . . . 1.0 112.055 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -97.56 124.93 50.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.606 -1.179 . . . . 1.0 109.959 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.69 155.47 63.04 Favored Pre-proline 0 N--CA 1.456 -0.128 0 N-CA-C 109.521 -0.548 . . . . 1.0 109.521 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -49.38 -36.01 37.21 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 121.25 1.3 . . . . 1.0 110.346 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -75.89 -18.98 59.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 118.502 0.592 . . . . 1.0 112.076 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.61 -138.59 5.51 Favored Glycine 0 C--N 1.338 0.655 0 C-N-CA 119.572 -1.299 . . . . 1.0 111.621 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.3 pt -132.85 149.69 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.761 ' C ' HD22 ' A' ' 21' ' ' LEU . 96.3 m-20 -121.81 134.95 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.461 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.761 HD22 ' C ' ' A' ' 20' ' ' ASP . 4.0 mm? -131.12 120.34 23.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.221 -1.029 . . . . 1.0 108.221 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.89 138.15 54.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 111.487 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -139.99 134.97 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.611 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -75.9 150.61 37.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.207 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.84 -27.16 62.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.58 0.705 . . . . 1.0 109.478 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.87 -34.48 75.53 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.093 -0.958 . . . . 1.0 109.461 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.01 74.85 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 122.993 1.378 . . . . 1.0 108.493 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.33 -39.84 77.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.211 -1.359 . . . . 1.0 110.224 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.72 -43.47 97.83 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.981 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.26 -40.35 81.95 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.869 0.842 . . . . 1.0 109.708 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.99 -46.48 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 119.266 -0.974 . . . . 1.0 111.853 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.88 -48.24 79.85 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.478 -1.389 . . . . 1.0 110.651 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.65 -42.67 99.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.891 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.9 p -59.0 -35.34 73.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.203 0.525 . . . . 1.0 110.104 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.89 -38.03 60.54 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.056 -1.218 . . . . 1.0 110.056 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.24 -37.5 80.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.329 -0.435 . . . . 1.0 110.932 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -75.65 -27.73 58.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 1.0 109.951 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -65.21 -4.98 5.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.703 -0.68 . . . . 1.0 109.921 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -68.36 -35.94 78.48 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.707 -0.397 . . . . 1.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt 55.54 99.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.6 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.42 142.53 39.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.559 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.551 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.109 -0.7 . . . . 1.0 109.109 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.13 90.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.969 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.57 133.71 42.21 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.15 145.59 54.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.519 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -132.21 128.48 38.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.76 0.314 . . . . 1.0 111.025 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -135.2 152.06 51.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.968 0.413 . . . . 1.0 110.366 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.76 132.02 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.529 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 8' ' ' VAL . 34.3 m -118.53 129.68 74.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.244 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -88.58 -27.95 21.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.056 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -140.85 131.79 26.06 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 120.259 -0.576 . . . . 1.0 112.252 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -128.02 130.71 48.73 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.952 0.406 . . . . 1.0 110.625 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -123.13 122.35 38.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.286 -0.87 . . . . 1.0 110.205 -179.471 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 131.79 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.403 0.62 . . . . 1.0 112.343 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -96.69 124.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.451 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.51 155.57 54.14 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -25.37 55.38 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 121.229 1.286 . . . . 1.0 109.789 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -83.64 -18.42 38.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 118.578 0.626 . . . . 1.0 110.623 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.81 -138.57 5.48 Favored Glycine 0 C--N 1.342 0.89 0 C-N-CA 119.959 -1.115 . . . . 1.0 111.583 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 pt -131.2 149.92 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -128.31 139.82 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.468 -0.787 . . . . 1.0 109.756 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.87 121.53 17.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.459 -0.497 . . . . 1.0 109.716 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -117.22 137.28 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.904 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -140.02 134.8 31.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.148 -0.933 . . . . 1.0 110.8 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 p -75.52 154.66 36.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.794 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -58.24 -26.91 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.623 0.725 . . . . 1.0 109.511 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -68.28 -39.36 82.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.597 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -61.28 -32.24 72.07 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 121.641 0.734 . . . . 1.0 110.137 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -71.72 -38.95 70.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.836 -1.075 . . . . 1.0 110.15 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -61.71 -40.83 96.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.427 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.17 -42.53 72.33 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.034 0.445 . . . . 1.0 109.978 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.34 -45.17 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 118.699 -0.667 . . . . 1.0 112.307 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.55 -47.89 81.89 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.369 1.441 . . . . 1.0 110.584 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.51 -44.32 97.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.314 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -61.03 -36.2 78.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.444 0.64 . . . . 1.0 110.056 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.33 -38.44 58.52 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.32 -38.93 81.51 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.141 0.496 . . . . 1.0 110.574 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -75.89 -33.15 59.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.079 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -61.98 -44.23 97.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.355 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -67.82 -35.8 79.26 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.008 -0.677 . . . . 1.0 109.698 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 61.83 143.29 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.702 -0.681 . . . . 1.0 111.21 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.95 142.26 35.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.677 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.5 tttp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.103 -0.951 . . . . 1.0 110.517 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.5 151.33 36.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -148.71 101.21 3.18 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.565 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.25 -43.66 60.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 1.0 112.081 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -117.67 160.2 21.69 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.837 0.351 . . . . 1.0 111.315 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -70.23 133.41 47.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.109 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.92 155.56 43.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.537 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -126.18 133.49 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.554 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.34 -38.78 74.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.172 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -142.89 137.57 29.61 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.807 -0.757 . . . . 1.0 112.783 -179.703 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -130.59 135.42 47.87 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.307 0.575 . . . . 1.0 110.618 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -126.07 120.98 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.596 -1.184 . . . . 1.0 110.289 -179.339 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.28 132.29 47.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.765 0.793 . . . . 1.0 111.59 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -97.15 126.28 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.45 -1.25 . . . . 1.0 110.662 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -122.16 153.02 61.19 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -50.08 -29.14 21.15 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.211 1.274 . . . . 1.0 110.622 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.1 -16.82 45.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.009 0.822 . . . . 1.0 111.661 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.45 -139.75 6.13 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.425 -1.369 . . . . 1.0 111.749 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 pt -132.98 152.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 61.9 t0 -129.75 138.33 51.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.422 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 80.1 mt -132.88 121.96 23.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 178.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -119.88 135.6 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.582 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mp -138.95 135.73 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.932 -1.031 . . . . 1.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -76.57 151.74 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.031 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -57.73 -27.35 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.704 0.764 . . . . 1.0 109.296 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -68.3 -38.34 81.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.67 -1.15 . . . . 1.0 109.857 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.37 -34.29 73.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.072 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.87 -40.03 79.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.437 -0.801 . . . . 1.0 110.987 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' HD13 ' A' ' 33' ' ' LEU . 78.5 ttt-85 -60.69 -41.87 95.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.177 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -68.35 -41.94 79.98 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 118.306 0.503 . . . . 1.0 109.957 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.63 -45.53 97.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.579 -0.737 . . . . 1.0 112.38 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -62.39 -49.66 74.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 119.929 1.241 . . . . 1.0 111.136 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 29' ' ' ARG . 5.6 mp -63.59 -41.92 98.32 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.71 -0.396 . . . . 1.0 111.508 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.5 p -61.25 -34.61 75.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.76 0.709 . . . . 1.0 109.972 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.03 -37.25 64.25 Favored Glycine 0 CA--C 1.518 0.246 0 N-CA-C 110.174 -1.17 . . . . 1.0 110.174 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.79 -37.5 82.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.17 -0.515 . . . . 1.0 111.082 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -75.94 -26.79 57.21 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.63 -0.507 . . . . 1.0 109.63 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -64.41 -6.4 7.12 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.363 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -68.23 -36.15 79.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.155 0.502 . . . . 1.0 110.689 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -73.84 131.82 41.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.515 -0.766 . . . . 1.0 109.886 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -74.19 138.95 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.717 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.586 -179.789 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 ttp . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.08 82.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.729 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.26 -22.92 65.28 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.611 -0.436 . . . . 1.0 110.994 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.35 -35.53 74.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.513 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -69.54 -36.81 76.7 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.749 -0.38 . . . . 1.0 110.767 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -68.36 141.85 55.64 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.664 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 139.55 57.6 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -125.83 127.06 70.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.501 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.18 -19.13 7.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -135.75 129.32 32.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 1.0 111.762 -179.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -133.41 132.73 41.5 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.624 0.726 . . . . 1.0 112.053 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.43 120.39 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.328 -1.305 . . . . 1.0 109.329 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 132.56 46.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.865 0.841 . . . . 1.0 112.408 -179.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -97.18 125.38 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.82 153.95 73.4 Favored Pre-proline 0 C--N 1.34 0.196 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.85 -37.02 20.94 Favored 'Trans proline' 0 C--N 1.317 -1.132 0 C-N-CA 121.349 1.366 . . . . 1.0 110.553 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 48.6 p30 -71.44 -23.8 61.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.722 -0.611 . . . . 1.0 111.779 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . 161.17 -136.27 4.35 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 119.905 -1.14 . . . . 1.0 111.137 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.3 pt -132.9 152.31 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -125.28 138.62 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.87 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -134.74 120.5 19.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.53 135.48 54.38 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.681 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -135.32 133.16 38.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.572 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -76.11 149.88 37.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.437 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -56.82 -26.89 59.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.957 0.884 . . . . 1.0 108.93 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.48 -38.62 81.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.582 -1.19 . . . . 1.0 109.61 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.11 70.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.064 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.2 mt -72.5 -39.57 67.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.086 -0.961 . . . . 1.0 110.894 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -62.43 -40.34 96.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.693 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.04 -43.07 75.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 118.386 0.539 . . . . 1.0 110.474 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -62.61 -45.63 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-O 118.741 -0.647 . . . . 1.0 112.455 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.2 -48.0 81.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 120.193 1.36 . . . . 1.0 110.689 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.21 -43.0 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -57.75 -39.71 77.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.125 0.488 . . . . 1.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.85 -35.75 61.66 Favored Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 109.97 -1.252 . . . . 1.0 109.97 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.33 -40.05 85.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 1.0 110.858 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -75.1 -29.81 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 1.0 109.656 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 m -64.09 -5.14 4.25 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.347 -0.842 . . . . 1.0 110.353 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -69.13 -35.83 76.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 1.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.11 132.52 47.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.704 -0.68 . . . . 1.0 110.797 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -87.48 145.61 26.18 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.071 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.895 -1.05 . . . . 1.0 111.107 -179.018 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 5' ' ' HIS . . . -66.41 140.79 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.704 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.33 -36.28 79.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.715 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.15 85.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.87 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 2' ' ' ALA . 49.7 m80 -111.84 127.87 55.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.663 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -120.99 122.03 39.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.752 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.01 -9.74 59.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.526 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.626 HG21 ' NE2' ' A' ' 11' ' ' GLN . 34.0 m -130.34 160.67 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.528 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -111.44 -21.93 11.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.233 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 11' ' ' GLN . 2.2 t80 -135.54 129.8 33.59 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.794 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.626 ' NE2' HG21 ' A' ' 8' ' ' VAL . 96.8 mm-40 -130.77 133.29 45.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.102 0.477 . . . . 1.0 111.011 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -125.74 122.78 37.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.944 -1.026 . . . . 1.0 110.217 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.12 132.45 47.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.62 0.724 . . . . 1.0 111.957 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 14' ' ' VAL . 9.1 p -97.1 124.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.497 -1.228 . . . . 1.0 110.073 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.84 156.67 61.76 Favored Pre-proline 0 N--CA 1.457 -0.115 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -49.79 -36.36 42.15 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 121.314 1.343 . . . . 1.0 110.427 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -75.93 -18.76 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.499 0.59 . . . . 1.0 111.978 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.88 -138.13 5.32 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 119.57 -1.3 . . . . 1.0 111.456 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.34 149.47 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 121.402 0.62 . . . . 1.0 109.336 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -124.36 138.28 54.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.454 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp -136.23 121.63 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -119.21 138.22 53.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.8 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' CD1' HD21 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -140.74 135.72 31.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.565 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.8 p -76.18 153.43 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.723 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -55.89 -28.18 55.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.507 0.67 . . . . 1.0 109.833 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.73 -35.23 76.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.922 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -63.77 -32.23 73.67 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.257 0.551 . . . . 1.0 109.967 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 23' ' ' LEU . 96.3 mt -71.83 -40.28 69.21 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.714 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -62.35 -37.93 87.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.664 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.57 -42.21 68.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 118.618 0.644 . . . . 1.0 109.821 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.58 -46.54 94.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.648 -0.705 . . . . 1.0 112.231 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -62.55 -48.46 79.4 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.067 1.303 . . . . 1.0 110.633 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.96 -42.78 99.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.146 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -58.06 -37.05 73.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.148 0.499 . . . . 1.0 110.299 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.63 -37.58 61.77 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.14 -1.184 . . . . 1.0 110.14 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.31 -37.4 80.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.167 -0.516 . . . . 1.0 110.798 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -76.24 -28.01 56.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.234 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 m -66.44 -1.63 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.656 -0.702 . . . . 1.0 109.935 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -72.9 -35.85 67.18 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.157 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -95.65 150.15 20.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.872 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.86 142.46 44.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.472 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.043 -0.98 . . . . 1.0 110.643 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.67 -0.493 . . . . 1.0 109.67 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.63 139.44 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.977 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -78.16 156.77 29.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.37 150.68 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.303 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -65.7 -43.21 89.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.585 . . . . 1.0 111.025 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -104.3 125.03 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.891 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.53 152.11 32.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.876 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 10' ' ' PHE . 55.7 t -125.99 135.79 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 1.0 110.478 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.23 74.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.093 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -141.35 138.76 33.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.566 -0.854 . . . . 1.0 113.298 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -128.74 130.62 47.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.1 122.23 36.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.56 135.98 46.29 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.05 126.09 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.783 -1.099 . . . . 1.0 110.267 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.97 156.17 66.17 Favored Pre-proline 0 C--N 1.339 0.13 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.13 -36.46 36.18 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.482 1.455 . . . . 1.0 110.749 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -76.93 -17.57 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.062 0.846 . . . . 1.0 111.613 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.96 -137.41 4.93 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 119.315 -1.422 . . . . 1.0 110.959 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 19' ' ' ILE . 43.2 pt -137.68 154.18 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.325 0.583 . . . . 1.0 109.614 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -129.54 140.42 51.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.847 -1.07 . . . . 1.0 110.732 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.04 124.63 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.78 -0.452 . . . . 1.0 109.78 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -124.33 142.42 51.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.391 0.615 . . . . 1.0 111.384 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pp -142.66 135.69 28.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.862 -1.063 . . . . 1.0 110.206 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 p -77.91 154.93 31.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -57.85 -29.02 64.65 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.849 0.833 . . . . 1.0 110.249 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -67.43 -39.51 85.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 1.0 109.509 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.72 -34.0 72.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.969 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.58 -38.62 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.4 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -63.21 -42.55 99.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.649 -0.705 . . . . 1.0 111.897 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -70.06 -41.28 74.37 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 118.749 0.704 . . . . 1.0 109.696 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.39 -44.81 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.359 -0.837 . . . . 1.0 112.313 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -61.26 -49.59 76.44 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 120.196 1.362 . . . . 1.0 111.132 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.52 -42.66 98.46 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.555 -0.458 . . . . 1.0 111.41 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.4 p -58.78 -34.75 71.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.294 0.569 . . . . 1.0 109.632 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.5 -39.4 61.14 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.072 -1.211 . . . . 1.0 110.072 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.01 -36.24 78.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 1.0 111.001 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -74.56 -26.03 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.019 0.437 . . . . 1.0 110.755 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 m -64.15 -2.68 2.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.015 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -78.21 -24.99 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.664 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -71.46 129.46 38.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.605 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -79.86 130.89 35.68 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.24 -0.584 . . . . 1.0 110.936 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.109 -0.948 . . . . 1.0 110.748 179.428 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.258 -0.645 . . . . 1.0 109.258 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.91 90.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.94 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -108.58 125.38 51.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.362 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.07 145.82 55.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.419 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -66.1 -41.09 91.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.46 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -115.12 127.79 55.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 1.0 109.558 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.82 142.45 23.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.9 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -127.61 129.96 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-O 120.966 0.412 . . . . 1.0 110.81 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.88 -45.17 64.85 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.671 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -143.35 144.73 32.2 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.527 0.936 . . . . 1.0 113.527 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -136.71 134.29 37.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.384 0.612 . . . . 1.0 111.17 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -126.48 120.95 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.624 -1.171 . . . . 1.0 109.67 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 132.62 46.96 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.646 0.736 . . . . 1.0 111.972 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -97.4 125.24 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.533 -1.212 . . . . 1.0 109.784 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.67 154.8 63.56 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -48.22 -37.19 30.99 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 121.234 1.29 . . . . 1.0 110.164 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.73 -19.52 60.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.367 0.531 . . . . 1.0 112.009 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.01 -138.48 5.49 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 119.547 -1.311 . . . . 1.0 111.718 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.5 pt -132.67 150.1 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -125.92 137.52 53.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.12 -0.946 . . . . 1.0 109.798 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.7 mt -132.51 122.71 25.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.087 -0.709 . . . . 1.0 109.087 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -124.76 138.72 54.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.416 0.626 . . . . 1.0 111.962 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.32 131.67 28.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.692 -1.14 . . . . 1.0 109.781 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -75.69 145.62 40.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.997 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -53.79 -26.44 23.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.717 0.77 . . . . 1.0 109.248 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.02 -37.66 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.037 . . . . 1.0 109.759 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.36 70.74 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.513 0.673 . . . . 1.0 109.607 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.49 -39.54 70.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.719 -1.128 . . . . 1.0 110.336 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.537 ' O ' HD13 ' A' ' 33' ' ' LEU . 59.3 ttp180 -62.97 -39.77 95.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.353 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.69 -41.32 72.15 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 118.421 0.555 . . . . 1.0 110.249 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.87 -44.88 98.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 118.798 -0.62 . . . . 1.0 112.061 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.02 -48.55 79.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 120.134 1.334 . . . . 1.0 111.359 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 29' ' ' ARG . 7.1 mp -62.83 -42.44 99.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.646 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.2 m -61.14 -36.08 78.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 118.493 0.588 . . . . 1.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.64 62.63 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.05 -1.22 . . . . 1.0 110.05 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.79 -36.21 80.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.178 -0.511 . . . . 1.0 110.876 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -75.25 -26.15 58.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.702 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -66.49 -4.74 9.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.533 -0.758 . . . . 1.0 110.066 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -69.86 -35.81 75.0 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.671 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -78.91 134.19 36.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.89 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.19 146.42 35.02 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.922 -1.037 . . . . 1.0 110.519 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 2' ' ' ALA . 65.6 mtt . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 54.72 109.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.629 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -138.83 149.71 45.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.865 0.364 . . . . 1.0 110.504 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.34 151.04 34.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.763 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -111.65 142.75 43.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.23 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -74.42 138.81 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.72 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.59 142.08 57.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.033 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.69 134.63 65.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.99 -37.44 72.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.747 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -141.56 134.0 28.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.571 -0.74 . . . . 1.0 112.752 -179.059 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -127.26 130.31 49.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.29 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -124.74 123.11 39.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.261 -179.499 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.4 133.59 44.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.913 0.863 . . . . 1.0 112.572 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 14' ' ' VAL . 13.1 p -98.61 123.55 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.125 -1.398 . . . . 1.0 110.048 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.61 156.82 60.9 Favored Pre-proline 0 C--N 1.338 0.085 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -49.31 -35.07 33.91 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.46 1.44 . . . . 1.0 110.726 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -77.21 -19.63 56.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 118.286 0.494 . . . . 1.0 112.172 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.37 -139.16 5.77 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 119.615 -1.279 . . . . 1.0 111.917 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -132.87 152.05 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -131.23 138.98 49.59 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.23 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.77 117.55 15.09 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.65 -0.42 . . . . 1.0 109.992 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -112.18 138.08 49.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.72 -0.673 . . . . 1.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.19 132.71 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.429 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 m -74.18 149.95 40.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.614 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -57.77 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.708 . . . . 1.0 109.351 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.72 -37.65 82.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.83 -33.95 73.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.167 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.6 mt -69.71 -39.2 77.02 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.387 -0.824 . . . . 1.0 110.976 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -63.78 -37.08 86.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.975 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.76 -43.0 69.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.264 0.484 . . . . 1.0 109.928 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.4 mt -62.28 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.491 -0.777 . . . . 1.0 111.864 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -65.29 -47.86 75.19 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 120.519 1.508 . . . . 1.0 110.506 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -60.31 -36.42 77.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.315 0.507 . . . . 1.0 110.256 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.88 -37.07 57.12 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.417 -1.073 . . . . 1.0 110.417 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.43 -37.67 81.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.892 -0.654 . . . . 1.0 110.847 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -76.57 -17.13 59.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.671 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 m -68.58 -6.02 23.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.734 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -72.67 -34.66 67.36 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.859 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.3 tttt 58.94 71.77 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.059 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -70.84 135.84 48.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.429 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 118.123 -0.942 . . . . 1.0 110.314 179.82 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mmm . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.64 138.59 50.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.188 0.518 . . . . 1.0 111.267 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 55.8 mp0 -68.25 -36.77 79.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.472 -0.786 . . . . 1.0 110.54 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.57 149.84 48.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.214 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -109.66 130.51 55.51 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.983 0.421 . . . . 1.0 111.017 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -73.8 139.51 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.219 0.533 . . . . 1.0 110.59 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.42 149.37 44.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.462 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.606 HG11 HE21 ' A' ' 11' ' ' GLN . 54.0 t -123.54 130.56 74.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.605 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 27' ' ' ALA . . . -119.77 -19.71 7.89 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.97 -0.292 . . . . 1.0 111.413 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.606 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -133.57 130.51 38.5 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.905 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.606 HE21 HG11 ' A' ' 8' ' ' VAL . 85.6 mt-30 -133.33 135.59 44.89 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.731 -0.605 . . . . 1.0 110.933 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -125.69 122.66 36.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.459 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.88 128.72 45.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.242 0.544 . . . . 1.0 112.399 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 14' ' ' VAL . 12.0 p -97.73 125.76 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.314 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.95 158.74 56.52 Favored Pre-proline 0 C--O 1.233 0.216 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -51.13 -35.48 51.85 Favored 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.466 1.444 . . . . 1.0 110.183 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -75.84 -20.94 57.75 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.75 0.648 . . . . 1.0 112.75 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.67 -139.26 5.77 Favored Glycine 0 C--O 1.228 -0.274 0 C-N-CA 119.195 -1.478 . . . . 1.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.4 150.65 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.816 -0.809 . . . . 1.0 108.816 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -127.19 140.14 52.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.795 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.61 121.41 17.54 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -112.31 138.63 48.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.764 -0.653 . . . . 1.0 109.961 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -137.06 132.43 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.404 -0.816 . . . . 1.0 109.395 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 p -79.25 146.0 33.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.307 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -57.29 -27.18 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 1.0 109.552 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.27 -35.92 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.889 -1.051 . . . . 1.0 109.899 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.519 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -62.32 -33.16 74.15 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 121.362 0.601 . . . . 1.0 109.976 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.35 -39.18 81.95 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.13 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -60.48 -42.05 95.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.037 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.45 -42.74 74.51 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 118.413 0.551 . . . . 1.0 110.336 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.7 -46.41 96.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.478 -0.783 . . . . 1.0 112.317 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -61.78 -49.39 76.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 120.099 1.318 . . . . 1.0 111.255 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.89 -41.52 97.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.673 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.0 t -57.77 -37.83 74.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.264 0.484 . . . . 1.0 110.274 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.24 64.06 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.709 -0.957 . . . . 1.0 110.709 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.86 -37.26 81.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.475 -0.363 . . . . 1.0 111.13 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -75.66 -15.24 60.34 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.926 0.393 . . . . 1.0 110.467 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -69.37 -4.34 17.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.081 -0.509 . . . . 1.0 109.752 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -84.88 -17.0 39.29 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 119.911 -0.716 . . . . 1.0 110.177 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.4 tttp 56.51 75.37 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.324 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -69.62 133.47 47.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.933 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.778 -1.106 . . . . 1.0 110.872 179.525 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.702 -0.481 . . . . 1.0 109.702 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.15 23.77 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 1.0 110.556 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -66.4 136.04 55.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.983 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.28 143.98 57.44 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.294 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -112.61 136.41 52.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.445 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -116.06 128.06 55.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.032 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.91 151.7 48.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.02 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.0 m -130.09 164.87 31.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.447 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.52 -38.14 74.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.094 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -139.04 133.97 32.36 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.598 -0.728 . . . . 1.0 112.46 -179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' NE2' HH21 ' A' ' 22' ' ' ARG . 58.9 tt0 -131.09 136.38 48.35 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.363 0.601 . . . . 1.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -128.69 121.72 29.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.659 -1.155 . . . . 1.0 109.948 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 132.76 47.24 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.547 0.689 . . . . 1.0 112.188 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -97.01 124.73 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 CA-C-N 114.928 -1.033 . . . . 1.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.3 40.73 Favored Pre-proline 0 CA--C 1.515 -0.386 0 N-CA-C 109.065 -0.717 . . . . 1.0 109.065 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.54 -27.28 81.89 Favored 'Trans proline' 0 C--N 1.299 -2.027 0 C-N-CA 121.497 1.465 . . . . 1.0 109.433 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -83.47 -17.34 42.35 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.391 0.541 . . . . 1.0 111.477 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 161.94 -139.29 5.88 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 119.706 -1.235 . . . . 1.0 111.518 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.8 pt -132.2 151.48 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 21' ' ' LEU . 67.4 t0 -129.17 138.54 51.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.554 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 4.3 mp -136.79 125.91 24.55 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.466 HH21 ' NE2' ' A' ' 11' ' ' GLN . 90.0 mtm180 -124.7 138.38 54.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.776 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -138.94 133.78 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.902 -1.045 . . . . 1.0 109.996 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -75.85 151.51 37.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.06 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -56.97 -28.08 61.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.614 0.721 . . . . 1.0 109.431 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.38 -37.73 80.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.973 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.53 70.36 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.363 0.602 . . . . 1.0 109.955 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 28' ' ' LEU . 85.7 mt -71.75 -39.63 69.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.316 -0.856 . . . . 1.0 109.809 178.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.94 -38.64 91.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.289 -0.869 . . . . 1.0 111.58 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -71.98 -41.99 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.589 0.631 . . . . 1.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.5 -44.97 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.905 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -62.97 -48.8 77.31 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 120.316 1.416 . . . . 1.0 110.832 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.68 -41.41 98.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 1.0 111.614 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -59.58 -37.35 78.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.182 0.515 . . . . 1.0 109.99 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.2 -35.35 57.15 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.405 -1.078 . . . . 1.0 110.405 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.72 -36.64 81.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.452 -0.374 . . . . 1.0 110.9 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -76.61 -19.04 58.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.967 0.413 . . . . 1.0 110.05 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -72.57 -2.87 21.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.34 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -72.91 -35.08 67.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.242 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -102.1 145.72 28.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.247 0.546 . . . . 1.0 111.055 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -76.12 142.8 41.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.679 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttp . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.334 -179.792 . . . . . . . . 0 0 . 1 stop_ save_