data_2lxa_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 2lxa _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 ' 76' ' ' LEU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 90' ' ' HIS . 7.2 mp . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.845 0.355 . . . . 1.28 111.242 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 m -98.94 107.45 19.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.546 -0.539 . . . . 1.0 109.546 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' HB2' HG13 ' A' ' 88' ' ' ILE . 17.2 mt -87.78 105.02 17.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.019 -0.363 . . . . 1.43 110.019 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -100.17 117.28 34.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.997 0.427 . . . . 1.81 110.635 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 83.3 tttt -101.03 109.3 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 1.14 110.998 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.8 pt -112.61 30.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.037 -0.529 . . . . 1.31 111.402 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -104.15 -89.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.366 -0.379 . . . . 1.81 111.774 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.05 136.66 3.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 110.392 -0.225 . . . . 1.22 110.392 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.24 16.6 18.68 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.926 -1.281 . . . . 1.17 111.916 -2.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 72.56 143.51 0.06 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.256 -0.883 . . . . 2.51 112.311 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.472 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 1.6 p90 -175.08 -177.52 1.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.354 -0.839 . . . . 0.38 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 p -138.17 120.1 15.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.823 0.345 . . . . 1.84 110.072 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.431 HG13 ' HB2' ' A' ' 78' ' ' LEU . 27.8 pt -127.52 175.92 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 1.05 110.249 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -149.79 146.26 27.07 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.264 -0.426 . . . . 1.53 109.87 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 76' ' ' LEU . 11.1 p80 -144.46 152.64 40.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 3.09 110.597 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.24 122.09 30.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 1.83 109.945 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -137.65 161.44 36.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.424 -0.353 . . . . 1.21 110.145 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -84.95 148.41 50.75 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.852 -0.613 . . . . 0.83 109.764 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -51.71 -28.86 31.31 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.994 3.129 . . . . 0.84 114.867 -168.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.5 m -81.06 -2.06 46.65 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.815 -0.553 . . . . 1.13 112.288 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.37 163.43 27.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.953 -0.758 . . . . 1.37 108.953 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.602 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 74.5 p -118.3 155.86 29.88 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 1.1 111.427 -176.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.486 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 30.6 mm -53.17 -34.36 21.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.516 -0.765 . . . . 1.14 110.571 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 1.47 110.867 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.602 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 75.7 mm-40 -69.28 -38.76 78.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.026 0.441 . . . . 0.7 109.844 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.9 mt -63.08 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 0.98 109.713 174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' A' ' 98' ' ' ILE . 2.4 mptm? -62.96 -51.64 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 1.69 111.432 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -54.07 -27.05 30.09 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.83 110.268 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.663 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 61.1 t-80 -76.29 -44.51 36.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.324 -0.853 . . . . 2.1 109.298 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.28 -31.48 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 1.05 110.09 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 114' ' ' ILE . 74.2 mt -65.8 -48.71 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 1.07 110.403 172.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.6 p -68.72 -23.7 64.38 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.869 -0.605 . . . . 1.14 111.468 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 14.5 pt-20 -99.26 13.28 33.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.102 0.477 . . . . 0.42 111.048 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.84 44.6 28.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.28 -0.873 . . . . 1.86 112.311 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.439 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 30.5 mmtp -104.94 -1.29 26.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.567 -0.742 . . . . 1.89 109.15 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -162.28 -179.89 7.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.868 -1.06 . . . . 0.97 110.778 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.2 m -103.16 -60.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.521 . . . . 1.26 110.916 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -130.72 169.44 15.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.622 -0.263 . . . . 2.21 110.963 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.466 ' N ' HD13 ' A' ' 106' ' ' ILE . 38.9 pt -59.67 -42.83 89.79 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 121.265 0.555 . . . . 0.94 111.092 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 114' ' ' ILE . 5.1 p -74.35 -23.93 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.739 0.644 . . . . 1.86 112.739 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -74.34 -0.65 17.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.494 0.664 . . . . 0.8 110.296 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.411 HD13 ' HG3' ' A' ' 102' ' ' LYS . 56.6 mt -111.84 116.93 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.527 -1.215 . . . . 1.04 109.323 176.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 113.59 27.21 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.536 -0.542 . . . . 1.68 109.536 176.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.6 mt -100.66 123.82 45.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.538 -0.542 . . . . 1.45 109.538 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -122.15 134.17 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 1.05 110.304 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.3 tp -114.98 110.76 20.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.902 -0.59 . . . . 2.02 109.606 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.9 tptt 62.59 31.69 16.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 2.95 110.277 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.81 -5.04 85.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.973 -0.632 . . . . 0.47 112.649 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -83.71 125.27 31.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.728 0.299 . . . . 2.59 110.348 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.86 112.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.856 -0.611 . . . . 1.05 110.657 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 27.6 mt -86.31 139.96 30.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.222 -0.659 . . . . 1.04 109.222 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -84.45 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.985 -0.286 . . . . 2.21 110.944 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -46.72 -47.47 20.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.773 0.671 . . . . 0.45 112.477 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -115.12 29.67 7.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.434 0.902 . . . . 2.07 113.434 -174.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 129.5 39.95 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.097 -0.377 . . . . 1.11 110.687 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -74.5 142.81 44.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.808 0.337 . . . . 0.57 111.001 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.71 -15.36 61.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 1.11 111.628 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.9 m -76.42 -20.54 56.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 1.81 110.382 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.013 -0.736 . . . . 1.93 109.013 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.8 mt -71.16 -52.81 17.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.102 -0.954 . . . . 1.22 110.341 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 58.33 58.55 3.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.897 -0.592 . . . . 3.45 110.417 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.32 102.97 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 1.22 110.159 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.5 p -76.52 145.26 75.24 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.451 -0.795 . . . . 1.52 110.395 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -50.37 -25.81 14.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.57 2.847 . . . . 1.06 113.272 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.56 -19.7 57.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.368 -0.378 . . . . 1.42 111.342 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -125.8 39.46 3.95 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.546 -0.539 . . . . 1.23 109.546 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.8 p -78.85 -8.27 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.73 -0.668 . . . . 1.57 112.532 -171.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 36.9 m -76.2 111.26 11.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 1.17 110.922 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.3 mm -107.54 136.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.783 -0.644 . . . . 1.1 110.075 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 9.4 m -92.42 111.83 23.55 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.233 -0.654 . . . . 1.06 109.233 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.539 HG22 HG13 ' A' ' 148' ' ' ILE . 14.0 p -107.32 113.01 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.151 0.977 . . . . 1.1 110.649 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 62.5 mtt -102.32 101.29 11.54 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.225 -0.898 . . . . 2.16 109.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.539 HG13 HG22 ' A' ' 146' ' ' VAL . 63.0 mt -118.15 137.31 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 CA-C-N 116.209 -0.451 . . . . 0.98 110.616 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.3 mmmm -126.62 100.45 28.5 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.365 -0.605 . . . . 1.73 109.365 173.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo . . . . . 0 C--O 1.235 0.335 0 C-N-CA 122.905 2.403 . . . . 0.78 112.16 -178.205 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.963 0.411 . . . . 1.28 110.367 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.5 m -94.54 96.61 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.137 0.494 . . . . 1.0 109.793 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -83.03 100.92 10.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.638 -0.71 . . . . 1.43 110.076 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -90.88 116.82 29.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.006 0.431 . . . . 1.81 110.134 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 86.8 tttt -99.13 110.73 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.849 -0.614 . . . . 1.14 110.502 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.8 pt -112.62 28.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 1.31 111.757 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -106.09 -91.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 1.81 111.396 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.53 138.16 2.88 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 110.366 -0.235 . . . . 1.22 110.366 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -80.53 12.8 24.14 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.697 -1.376 . . . . 1.17 112.192 -1.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm 72.1 148.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.243 -0.89 . . . . 2.51 112.665 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -178.9 -177.24 0.48 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.16 -0.927 . . . . 0.38 109.586 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -140.99 119.09 11.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.77 0.319 . . . . 1.84 110.192 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.36 150.21 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.356 -0.384 . . . . 1.05 111.166 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -120.41 117.3 27.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.174 -0.467 . . . . 1.53 109.849 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -133.44 132.68 41.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.155 -0.475 . . . . 3.09 109.963 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.89 142.29 38.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.349 0.595 . . . . 1.83 110.919 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.621 ' CE1' HG12 ' A' ' 101' ' ' ILE . 45.3 m-85 -140.49 173.01 11.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.108 -0.951 . . . . 1.21 108.939 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.1 m -104.61 150.68 38.83 Favored Pre-proline 0 C--N 1.315 -0.914 0 O-C-N 122.116 -0.365 . . . . 0.83 110.123 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.18 -38.77 33.6 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.753 2.302 . . . . 0.84 113.806 -172.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -80.1 -2.2 43.43 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.854 -0.529 . . . . 1.13 112.25 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -76.45 161.48 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.116 -0.698 . . . . 1.37 109.116 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 p -108.17 156.21 19.57 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.839 0.352 . . . . 1.1 110.698 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.578 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 36.0 mm -57.57 -29.24 33.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.216 173.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.28 -32.08 71.91 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.386 -0.37 . . . . 1.47 110.629 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -64.41 -42.19 96.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.7 109.296 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.621 HG12 ' CE1' ' A' ' 92' ' ' PHE . 48.7 mt -66.76 -44.16 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.136 -0.938 . . . . 0.98 110.1 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 31.1 mmtp -58.07 -57.7 11.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.22 -0.9 . . . . 1.69 110.967 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' A' ' 106' ' ' ILE . 64.8 mm-40 -60.57 -24.06 65.14 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.83 111.054 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.693 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 50.3 t-80 -72.89 -46.79 50.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.95 -0.759 . . . . 2.1 108.95 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.51 -36.27 83.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 1.05 110.283 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.492 HD13 ' N ' ' A' ' 114' ' ' ILE . 79.4 mt -60.02 -48.01 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.968 0.413 . . . . 1.07 110.523 173.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.4 p -68.18 -23.46 64.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 1.14 111.656 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.5 pt-20 -101.66 18.75 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 0.42 111.197 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.82 28.86 17.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.729 -0.669 . . . . 1.86 112.63 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.512 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.0 mmtm -88.99 -23.45 22.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.333 -0.394 . . . . 1.89 110.308 177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.34 167.47 27.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 0.97 111.31 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.1 m -86.55 -55.47 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 1.26 111.395 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.461 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 68.0 m80 -133.52 169.12 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.707 -0.224 . . . . 2.21 110.777 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.492 ' N ' HD13 ' A' ' 106' ' ' ILE . 20.3 pt -58.67 -47.68 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 112.345 0.498 . . . . 0.94 112.345 -174.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 m -83.86 -5.63 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.971 0.36 . . . . 1.86 111.971 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.461 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 16.8 mm-40 -75.18 -6.89 52.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.968 0.89 . . . . 0.8 108.945 173.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.493 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 46.8 mt -105.52 112.64 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 113.466 -1.697 . . . . 1.04 108.742 173.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.44 113.06 25.2 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.093 -0.706 . . . . 1.68 109.093 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.407 ' HB3' HD13 ' A' ' 126' ' ' LEU . 29.4 mt -102.51 131.23 49.36 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.805 0.336 . . . . 1.45 110.311 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 mp -133.88 142.68 47.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.986 -0.552 . . . . 1.05 109.878 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.9 tp -114.28 99.28 7.48 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.539 -0.541 . . . . 2.02 109.539 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 53.12 42.46 32.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.481 -0.781 . . . . 2.95 111.212 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.95 -21.91 42.64 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.499 -0.773 . . . . 0.47 112.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -75.87 116.67 16.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.822 0.344 . . . . 2.59 110.579 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.93 120.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.974 -0.557 . . . . 1.05 110.909 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.454 HD22 HD22 ' A' ' 135' ' ' LEU . 32.5 mt -96.77 129.64 44.16 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.89 -0.781 . . . . 1.04 108.89 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -79.97 166.95 21.09 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.038 -0.265 . . . . 2.21 111.261 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -57.27 -46.85 82.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.923 0.342 . . . . 0.45 111.923 -174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -115.92 29.99 7.63 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.131 0.491 . . . . 2.07 111.759 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 135.47 43.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.987 -0.446 . . . . 1.11 109.998 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.462 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 61.7 m-85 -73.02 144.24 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.57 110.701 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.66 -15.04 61.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 1.11 111.766 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.95 -32.04 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 1.81 110.778 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.99 -21.54 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.809 -0.632 . . . . 1.93 110.24 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 23.0 mt -89.79 -52.8 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.576 -0.738 . . . . 1.22 110.126 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.487 ' HZ3' ' HB2' ' A' ' 136' ' ' LYS . 4.4 ttmp? 60.36 77.32 0.33 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.236 -0.893 . . . . 3.45 111.272 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.64 102.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 1.22 109.635 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 31.8 p -75.86 145.21 77.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.074 -0.512 . . . . 1.52 110.016 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.94 -22.19 37.11 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.064 2.509 . . . . 1.06 113.057 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.02 31.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 1.42 110.837 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.12 41.13 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.236 -0.653 . . . . 1.23 109.236 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.3 p -81.93 6.18 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.467 -0.788 . . . . 1.57 112.461 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 17.6 m -78.68 109.81 13.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.102 0.477 . . . . 1.17 110.686 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 37.4 mm -111.21 142.4 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.872 -0.604 . . . . 1.1 110.111 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 28.8 m -96.93 118.86 34.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.486 -0.561 . . . . 1.06 109.486 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 14.6 p -118.93 115.43 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 122.06 0.933 . . . . 1.1 110.858 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 57.0 mtm -101.71 101.29 11.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.3 -0.863 . . . . 2.16 109.468 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.477 HG13 HG23 ' A' ' 146' ' ' VAL . 53.4 mt -113.58 137.04 48.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.393 -0.367 . . . . 0.98 110.083 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 88.8 24.92 Favored Pre-proline 0 C--N 1.318 -0.793 0 N-CA-C 108.971 -0.751 . . . . 1.73 108.971 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo . . . . . 0 C--N 1.344 0.298 0 C-N-CA 122.734 2.289 . . . . 0.78 112.767 -176.08 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.887 0.375 . . . . 1.28 110.645 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 48.9 m -89.79 93.94 9.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.415 ' HB2' HG13 ' A' ' 88' ' ' ILE . 14.2 mt -81.98 97.35 8.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.976 -0.556 . . . . 1.43 109.554 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.78 116.37 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.81 110.598 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 87.4 tttt -98.65 111.1 23.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 1.14 110.769 -176.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.9 pt -114.24 20.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.891 -0.595 . . . . 1.31 111.988 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -101.54 -88.71 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.723 -0.391 . . . . 1.81 111.492 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.5 143.01 2.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 122.404 -0.185 . . . . 1.22 110.668 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -76.53 13.46 9.53 Favored 'Cis proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.953 -1.27 . . . . 1.17 113.232 -7.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.6 mttp 74.67 147.13 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.733 0.813 . . . . 2.51 112.446 173.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -173.73 178.01 2.35 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.73 -0.668 . . . . 0.38 109.941 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.8 p -136.38 119.52 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.706 0.289 . . . . 1.84 110.417 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.415 HG13 ' HB2' ' A' ' 78' ' ' LEU . 24.6 pt -132.81 143.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 1.05 110.829 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -119.69 121.44 39.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.366 -0.379 . . . . 1.53 109.996 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -132.82 131.29 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.038 -0.528 . . . . 3.09 110.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -105.23 142.61 34.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.833 0.349 . . . . 1.83 110.213 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.63 173.23 11.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.126 -0.488 . . . . 1.21 110.522 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.1 m -81.27 140.63 49.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.83 110.024 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -63.56 -7.92 13.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.366 2.711 . . . . 0.84 114.66 -173.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -114.23 10.42 17.24 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.807 -0.558 . . . . 1.13 111.378 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.51 171.32 13.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.691 -0.485 . . . . 1.37 109.691 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 p -109.08 147.99 31.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.024 0.44 . . . . 1.1 111.286 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 130' ' ' LEU . 41.8 mm -55.85 -24.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.414 -0.812 . . . . 1.14 110.532 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.22 -39.48 79.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 1.47 110.452 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 51.6 mm-40 -71.46 -34.11 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.993 0.425 . . . . 0.7 110.121 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.4 HD13 HD12 ' A' ' 98' ' ' ILE . 38.1 mt -67.92 -45.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.98 110.041 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.57 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 81.8 mttt -64.28 -47.48 79.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.639 -0.71 . . . . 1.69 110.864 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -61.91 -23.69 66.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.015 0.436 . . . . 0.83 110.6 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.604 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 5.8 t60 -79.82 -35.91 37.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.716 -0.674 . . . . 2.1 109.457 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 mt -71.41 -31.93 67.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.632 -0.507 . . . . 1.05 109.632 176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 114' ' ' ILE . 74.0 mt -63.5 -45.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.172 0.51 . . . . 1.07 110.144 171.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.7 p -71.06 -27.09 63.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.761 -0.654 . . . . 1.14 111.754 -173.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.6 pt-20 -95.81 18.01 14.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.897 0.379 . . . . 0.42 110.845 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 56.33 37.34 28.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.642 -0.708 . . . . 1.86 112.499 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.415 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.5 mmtp -99.96 -11.64 20.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.066 0.46 . . . . 1.89 109.934 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.94 167.71 26.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.419 -0.81 . . . . 0.97 110.671 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.4 m -92.05 -56.54 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 1.26 111.088 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -135.27 165.85 24.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.277 -0.638 . . . . 2.21 109.277 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 28.5 pt -57.57 -46.3 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.023 0.44 . . . . 0.94 111.354 -176.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 114' ' ' ILE . 47.9 t -74.22 -5.98 45.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.678 0.621 . . . . 1.86 112.678 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.39 -6.66 59.53 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.596 -0.89 . . . . 0.8 108.596 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 62.0 mt -105.6 119.33 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 113.952 -1.476 . . . . 1.04 109.664 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.43 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -111.43 113.07 25.26 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.399 -0.593 . . . . 1.68 109.399 175.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.43 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 33.9 mt -100.75 130.32 46.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.982 -0.377 . . . . 1.45 109.982 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.22 131.35 48.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.928 -0.397 . . . . 1.05 109.928 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -124.78 111.46 15.56 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.508 -0.552 . . . . 2.02 109.508 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp 60.93 40.85 15.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.641 -0.709 . . . . 2.95 110.714 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.0 4.12 88.54 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.844 -0.617 . . . . 0.47 112.849 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -93.86 122.12 36.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 2.59 110.921 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.408 HG11 ' HZ3' ' A' ' 118' ' ' LYS . 72.8 t -70.12 109.14 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.752 -0.658 . . . . 1.05 110.564 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 21.6 mt -84.88 132.12 34.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.345 -0.613 . . . . 1.04 109.345 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -85.96 170.26 12.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.172 -0.467 . . . . 2.21 111.395 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.433 ' HA ' ' HZ3' ' A' ' 102' ' ' LYS . 10.7 p-10 -51.22 -44.94 61.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.991 -0.55 . . . . 0.45 111.776 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -114.57 29.6 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.028 0.751 . . . . 2.07 113.028 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.448 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.38 129.27 39.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 1.11 110.447 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.429 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 60.1 m-85 -75.12 138.73 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.428 -0.351 . . . . 0.57 110.783 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.15 -15.49 63.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.316 -0.402 . . . . 1.11 110.975 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 p -68.2 -26.42 65.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.257 -0.429 . . . . 1.81 111.027 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.72 -18.42 26.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.391 0.615 . . . . 1.93 110.05 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 37.1 mt -87.64 -53.89 4.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.302 -0.863 . . . . 1.22 110.306 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 54.98 67.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.921 0.763 . . . . 3.45 110.922 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' A' ' 142' ' ' SER . 42.3 t -73.83 101.47 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.52 -0.763 . . . . 1.22 109.896 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 29.7 p -91.64 164.81 22.73 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.654 -0.703 . . . . 1.52 110.312 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -47.38 -43.82 25.97 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.781 2.32 . . . . 1.06 113.288 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.74 -19.42 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.592 -0.276 . . . . 1.42 111.685 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -118.35 31.17 6.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.614 -0.266 . . . . 1.23 111.022 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.44 ' HA ' ' CG1' ' A' ' 137' ' ' VAL . 40.2 m -85.16 -4.55 59.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.111 -0.236 . . . . 1.57 111.628 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.2 m -83.1 106.35 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.023 0.44 . . . . 1.17 110.184 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 10.5 mm -106.5 136.53 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.978 -0.555 . . . . 1.1 110.091 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.7 m -88.99 114.23 25.38 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.426 -0.583 . . . . 1.06 109.426 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.493 HG21 HG13 ' A' ' 148' ' ' ILE . 11.3 p -112.53 113.93 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 122.279 1.038 . . . . 1.1 111.056 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 76.6 mtp -101.87 100.98 11.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.881 -1.054 . . . . 2.16 109.134 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.566 ' O ' ' HD2' ' A' ' 149' ' ' LYS . 39.8 mt -119.53 133.04 67.62 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 CA-C-N 116.476 -0.329 . . . . 0.98 110.18 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.566 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 11.7 mmmm -125.79 86.69 57.16 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 109.198 -0.667 . . . . 1.73 109.198 175.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 C-N-CA 123.158 2.572 . . . . 0.78 111.514 -178.08 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.809 0.338 . . . . 1.28 111.011 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.2 m -96.52 93.42 6.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.521 -0.548 . . . . 1.0 109.521 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 119' ' ' LEU . 13.9 mt -80.28 98.2 7.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.697 -0.683 . . . . 1.43 109.8 -175.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -89.72 112.85 24.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.891 -0.595 . . . . 1.81 110.385 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.3 tttt -93.48 111.06 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 1.14 110.464 -175.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 pt -111.02 33.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.085 -0.507 . . . . 1.31 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -114.68 -91.77 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.936 -0.305 . . . . 1.81 111.647 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.04 136.98 4.68 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.359 -0.237 . . . . 1.22 110.359 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.59 10.43 40.0 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.55 -1.438 . . . . 1.17 112.146 -3.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 75.79 150.37 0.11 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.998 -1.001 . . . . 2.51 112.502 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.476 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 1.5 p90 -178.71 -177.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.929 -1.032 . . . . 0.38 109.181 176.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -140.86 113.45 8.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.01 -0.367 . . . . 1.84 110.01 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 pt -116.68 132.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 1.05 110.853 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.06 116.16 31.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.03 0.443 . . . . 1.53 109.895 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -128.16 131.1 48.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 3.09 110.516 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -103.75 120.65 41.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.115 -0.493 . . . . 1.83 110.07 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.5 m-85 -124.41 155.1 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 1.21 110.788 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -66.12 141.27 97.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.83 110.658 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.96 -7.28 9.31 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.303 2.669 . . . . 0.84 113.966 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -112.88 7.46 18.34 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.662 -0.415 . . . . 1.13 111.589 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.85 169.99 16.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.026 -0.361 . . . . 1.37 110.026 176.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.6 p -107.06 156.3 18.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.009 0.433 . . . . 1.1 111.121 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.422 HG22 HD12 ' A' ' 119' ' ' LEU . 38.7 mm -59.28 -25.69 31.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.685 -0.688 . . . . 1.14 109.988 172.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.38 -39.83 84.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.705 -0.68 . . . . 1.47 110.536 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -61.73 -43.5 98.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.956 -0.565 . . . . 0.7 110.028 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 41.5 mt -65.15 -42.72 94.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.279 -0.873 . . . . 0.98 110.357 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.497 ' HE3' ' O ' ' A' ' 114' ' ' ILE . 37.5 mttp -63.25 -50.04 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.631 -0.713 . . . . 1.69 111.522 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -59.9 -25.81 65.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.287 0.565 . . . . 0.83 110.479 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 19.6 t60 -77.5 -40.24 43.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.419 -0.809 . . . . 2.1 109.605 -176.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 39.4 mt -69.98 -32.78 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.015 -0.539 . . . . 1.05 110.204 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 102' ' ' LYS . 68.4 mt -64.25 -42.74 96.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.479 0.657 . . . . 1.07 109.531 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -63.72 -40.07 95.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.8 -1.091 . . . . 1.14 111.411 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.7 pt-20 -94.76 21.02 7.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.793 0.33 . . . . 0.42 111.75 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 55.15 44.92 27.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.644 -0.707 . . . . 1.86 112.214 174.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 41.9 mmtm -107.01 -8.39 16.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.952 -0.567 . . . . 1.89 110.147 177.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -152.0 178.92 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.97 110.954 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 t -103.48 -53.32 2.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 1.26 110.019 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.411 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 44.8 m80 -136.01 171.3 14.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.879 -0.415 . . . . 2.21 109.879 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.497 ' O ' ' HE3' ' A' ' 102' ' ' LYS . 17.7 pt -59.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 120.594 0.235 . . . . 0.94 111.574 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.9 t -74.08 -7.34 52.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.021 0.378 . . . . 1.86 112.021 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 39.2 mm-40 -80.9 3.74 21.73 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.781 0.801 . . . . 0.8 109.495 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 60.7 mt -114.05 106.11 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 113.939 -1.482 . . . . 1.04 109.504 177.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.433 ' NZ ' HG11 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -98.06 112.84 24.64 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.21 -0.663 . . . . 1.68 109.21 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.422 HD12 HG22 ' A' ' 98' ' ' ILE . 19.3 mt -104.1 129.33 51.79 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.809 0.338 . . . . 1.45 110.235 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 mp -127.89 134.58 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 1.05 109.62 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.8 tt -113.89 102.58 10.35 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.59 -0.893 . . . . 2.02 108.59 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 62.47 32.62 16.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.668 0.747 . . . . 2.95 109.834 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.79 -18.83 56.69 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.541 -0.754 . . . . 0.47 112.579 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -73.47 124.18 25.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.579 0.228 . . . . 2.59 110.742 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.433 HG11 ' NZ ' ' A' ' 118' ' ' LYS . 55.4 t -69.16 122.04 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 1.05 111.091 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.408 HD22 HD23 ' A' ' 135' ' ' LEU . 19.2 mt -96.95 139.72 32.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.704 -0.85 . . . . 1.04 108.704 173.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -85.94 178.07 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.992 -0.373 . . . . 2.21 109.992 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.497 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 5.9 p-10 -61.32 -44.18 97.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.74 -0.209 . . . . 0.45 111.516 -177.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -115.13 27.98 9.01 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.331 0.493 . . . . 2.07 112.331 -174.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.92 132.03 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.146 -0.316 . . . . 1.11 110.146 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -78.35 138.67 38.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.412 . . . . 0.57 110.666 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.01 -15.34 63.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.587 . . . . 1.11 111.588 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 p -69.71 -24.98 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.077 0.465 . . . . 1.81 110.814 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -91.07 -20.86 21.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 1.93 109.587 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.408 HD23 HD22 ' A' ' 126' ' ' LEU . 35.5 mt -83.72 -58.05 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.358 -0.837 . . . . 1.22 110.87 -177.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.67 72.43 0.53 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.712 0.633 . . . . 3.45 111.573 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 37.9 t -79.94 103.07 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 1.22 109.779 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.7 p -88.71 161.96 40.2 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.999 -0.546 . . . . 1.52 110.818 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.23 -46.72 21.88 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.625 2.217 . . . . 1.06 113.078 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.45 -6.79 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 1.42 111.957 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -126.5 31.6 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.216 0.531 . . . . 1.23 109.773 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.9 p -79.6 -17.35 54.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.566 -0.743 . . . . 1.57 111.663 -173.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 43.5 m -73.18 104.93 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 1.17 110.306 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 35.1 mm -106.19 143.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.784 -0.643 . . . . 1.1 109.843 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 m -95.19 119.16 33.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.684 -0.487 . . . . 1.06 109.684 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 7.2 p -119.68 121.75 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-O 122.115 0.96 . . . . 1.1 110.867 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 55.9 mtt -105.36 101.14 10.7 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.014 -0.993 . . . . 2.16 108.875 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.505 ' O ' ' HD2' ' A' ' 149' ' ' LYS . 45.6 mt -119.64 137.65 52.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.33 -0.395 . . . . 0.98 110.397 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.505 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.9 mmmm -125.43 104.72 28.11 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.213 -0.662 . . . . 1.73 109.213 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo . . . . . 0 N--CA 1.461 -0.394 0 C-N-CA 122.753 2.302 . . . . 0.78 112.24 -179.23 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.188 -0.301 . . . . 1.28 110.188 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 m -90.56 92.56 8.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.64 104.62 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.797 -0.638 . . . . 1.43 109.784 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -98.52 114.1 26.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.967 0.413 . . . . 1.81 110.42 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.462 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 84.9 tttt -98.26 105.53 17.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.663 -0.699 . . . . 1.14 110.946 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.25 40.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.598 -0.728 . . . . 1.31 110.731 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.469 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.8 mm-40 -116.49 -88.13 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.834 -0.621 . . . . 1.81 111.684 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.59 133.75 1.73 Allowed Pre-proline 0 N--CA 1.465 0.305 0 CA-C-O 120.342 0.115 . . . . 1.22 110.703 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.1 12.91 26.33 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 124.212 -1.161 . . . . 1.17 112.051 -1.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt 74.91 147.98 0.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.356 -0.838 . . . . 2.51 112.12 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.2 p90 -179.01 173.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.266 -0.879 . . . . 0.38 109.267 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 p -132.34 121.16 23.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.838 0.351 . . . . 1.84 110.362 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 pt -127.25 158.47 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 1.05 110.807 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -130.33 131.85 45.57 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.769 -0.826 . . . . 1.53 108.769 169.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -130.19 135.27 47.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.338 -0.392 . . . . 3.09 110.647 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.95 123.67 40.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.981 -0.554 . . . . 1.83 110.88 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CE2' HG12 ' A' ' 101' ' ' ILE . 38.5 m-85 -135.88 167.06 21.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 1.21 110.661 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -93.23 147.36 33.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.91 -0.587 . . . . 0.83 110.548 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.82 -10.06 21.13 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.22 2.613 . . . . 0.84 114.771 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -114.0 10.38 17.54 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.686 -0.634 . . . . 1.13 111.087 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.3 168.47 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.197 -0.668 . . . . 1.37 109.197 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -108.63 148.05 30.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.128 0.489 . . . . 1.1 111.075 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.537 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 28.1 mm -55.85 -27.72 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.306 -0.861 . . . . 1.14 110.538 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.64 -36.99 74.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 1.47 110.432 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -63.79 -40.8 97.52 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.562 -0.532 . . . . 0.7 109.562 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.563 HG12 ' CE2' ' A' ' 92' ' ' PHE . 22.9 mt -67.86 -42.86 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 0.98 110.267 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 33.2 mmtp -59.13 -55.36 36.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.46 -0.791 . . . . 1.69 110.86 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -63.11 -21.41 66.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.83 110.751 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.669 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 58.1 t-80 -73.45 -42.63 61.73 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.81 -0.811 . . . . 2.1 108.81 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 81.2 mt -69.37 -33.92 73.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 1.05 110.593 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.484 HD13 ' N ' ' A' ' 114' ' ' ILE . 67.0 mt -61.7 -51.31 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.31 0.576 . . . . 1.07 110.335 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 p -69.55 -24.11 63.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 1.14 111.87 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.669 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.8 pt-20 -96.82 17.64 16.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.787 0.327 . . . . 0.42 111.178 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 56.68 39.2 29.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.806 -0.634 . . . . 1.86 112.138 174.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.0 mmtp -105.16 -7.2 19.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.506 0.669 . . . . 1.89 109.349 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.68 178.74 8.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.9 -1.045 . . . . 0.97 110.385 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.493 ' HB3' ' HG3' ' A' ' 116' ' ' GLU . 40.1 t -108.86 -51.82 2.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.062 -0.517 . . . . 1.26 111.133 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.433 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 14.2 m80 -127.54 167.91 15.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.621 -0.511 . . . . 2.21 109.621 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.499 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 29.8 pt -62.08 -33.26 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.445 0.641 . . . . 0.94 110.185 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.8 p -85.63 -6.0 59.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.302 -0.863 . . . . 1.86 112.673 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.493 ' HG3' ' HB3' ' A' ' 112' ' ' SER . 46.7 mm-40 -82.06 -2.81 53.06 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.828 -0.804 . . . . 0.8 108.828 174.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.466 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 33.1 mt -116.41 108.4 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 114.29 -1.323 . . . . 1.04 110.049 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -99.2 112.5 24.64 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.171 -0.677 . . . . 1.68 109.171 175.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.446 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 39.7 mt -98.28 125.3 43.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.66 -0.496 . . . . 1.45 109.66 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 3.7 mp -127.3 137.17 52.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.904 -0.406 . . . . 1.05 109.904 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 35.9 tp -114.72 100.77 8.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.295 -0.412 . . . . 2.02 109.969 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 43.2 tttp 58.44 38.04 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.72 -0.673 . . . . 2.95 110.472 176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.71 -15.54 59.6 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.848 -0.615 . . . . 0.47 112.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 55.7 tptt -81.76 121.11 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 2.59 110.914 -178.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 87.2 t -74.91 112.2 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 1.05 110.757 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.462 HD21 HD22 ' A' ' 135' ' ' LEU . 17.1 mt -90.25 131.11 36.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 1.04 109.197 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -85.9 170.76 12.05 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.958 -0.297 . . . . 2.21 111.394 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.469 ' HA ' ' HZ1' ' A' ' 102' ' ' LYS . 1.3 p30 -49.15 -50.78 35.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.45 112.516 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -114.92 30.51 7.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.021 0.438 . . . . 2.07 111.884 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.426 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -64.4 133.06 51.81 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.966 -0.459 . . . . 1.11 109.931 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.02 137.73 37.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 0.57 110.59 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.74 -15.51 63.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 1.11 111.235 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.3 p -69.88 -29.27 66.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 1.81 110.778 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -82.73 -27.6 31.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.419 0.628 . . . . 1.93 109.596 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.462 HD22 HD21 ' A' ' 126' ' ' LEU . 31.4 mt -81.78 -55.56 4.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.29 -0.868 . . . . 1.22 110.703 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.5 tptp 56.32 69.79 0.71 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.356 -0.838 . . . . 3.45 110.473 -176.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.5 t -73.96 102.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.446 -0.797 . . . . 1.22 109.843 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 22.9 p -85.35 161.79 50.58 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.401 -0.818 . . . . 1.52 110.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -46.96 -46.37 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.816 2.344 . . . . 1.06 113.012 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.15 -20.53 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 1.42 111.688 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -115.93 30.06 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.998 0.428 . . . . 1.23 110.486 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.7 p -79.59 -18.74 50.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.093 -0.503 . . . . 1.57 111.895 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.8 m -76.63 113.69 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 1.17 110.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 27.4 mm -111.06 138.99 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 1.1 110.444 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.8 m -86.96 107.59 18.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.54 -0.541 . . . . 1.06 109.54 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.521 HG23 HG13 ' A' ' 148' ' ' ILE . 13.2 p -108.62 112.03 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.16 0.981 . . . . 1.1 111.091 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 81.9 mtp -99.05 102.38 14.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.028 -0.987 . . . . 2.16 109.585 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.521 HG13 HG23 ' A' ' 146' ' ' VAL . 72.1 mt -119.63 139.09 48.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.333 -0.394 . . . . 0.98 111.04 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.469 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.6 mmtp -135.12 108.37 10.46 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 108.266 -1.013 . . . . 1.73 108.266 170.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.233 0.27 0 C-N-CA 122.532 2.155 . . . . 0.78 111.97 -178.121 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.931 0.396 . . . . 1.28 110.955 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.9 m -103.12 93.25 4.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.1 102.29 10.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.669 -0.696 . . . . 1.43 109.867 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -93.15 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.872 0.368 . . . . 1.81 110.447 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 85.5 tttt -99.8 110.26 22.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 1.14 110.61 -176.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 pt -113.21 42.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.425 0.631 . . . . 1.31 110.685 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.527 ' HB3' ' CD ' ' A' ' 149' ' ' LYS . 26.4 mm-40 -116.19 -95.2 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 1.81 111.719 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.57 136.55 3.58 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 110.627 -0.138 . . . . 1.22 110.627 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.4 16.58 12.94 Favored 'Cis proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.624 -1.407 . . . . 1.17 112.823 -6.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 74.65 154.47 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.522 0.729 . . . . 2.51 112.387 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.562 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 0.4 OUTLIER 179.84 -177.25 0.35 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.664 0.786 . . . . 0.38 109.79 174.271 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.4 m -141.11 124.36 16.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.5 -0.556 . . . . 1.84 109.5 171.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.32 138.88 53.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 1.05 110.9 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.32 117.1 33.19 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.129 0.49 . . . . 1.53 109.73 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . 1.5 m-70 -127.31 121.19 30.4 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.851 -0.613 . . . . 3.09 109.914 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.18 135.23 42.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.204 -0.453 . . . . 1.83 110.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.4 ' CE2' ' HB3' ' A' ' 90' ' ' HIS . 72.2 m-85 -142.16 163.91 31.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.111 -0.495 . . . . 1.21 110.426 -178.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -78.85 150.28 75.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.778 -0.646 . . . . 0.83 109.763 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.3 -4.93 11.45 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.954 2.436 . . . . 0.84 113.76 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.1 m -105.23 5.76 32.36 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.677 -0.409 . . . . 1.13 110.98 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.42 173.95 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.272 -0.64 . . . . 1.37 109.272 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.488 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 57.3 p -126.41 151.28 47.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.49 . . . . 1.1 110.847 -177.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 119' ' ' LEU . 47.0 mm -60.78 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.425 -0.807 . . . . 1.14 110.913 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.96 -36.92 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.014 -0.365 . . . . 1.47 110.014 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.488 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 27.7 mm-40 -70.41 -33.05 70.92 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.819 -0.353 . . . . 0.7 110.316 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 mt -69.91 -42.62 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.218 0.532 . . . . 0.98 109.877 176.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.549 ' HD3' ' HB ' ' A' ' 114' ' ' ILE . 39.9 mttp -62.1 -50.62 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 1.69 110.937 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -58.22 -29.73 65.94 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.266 0.555 . . . . 0.83 110.423 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.659 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 51.9 t-80 -71.82 -45.97 59.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.38 -0.827 . . . . 2.1 109.172 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.25 -35.42 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.604 . . . . 1.05 110.162 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 114' ' ' ILE . 73.7 mt -60.97 -50.1 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 1.07 110.2 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.2 p -66.41 -22.6 66.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.666 -0.697 . . . . 1.14 111.598 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -104.33 22.97 13.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.208 -0.308 . . . . 0.42 111.353 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.96 37.23 24.63 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.618 -0.719 . . . . 1.86 112.409 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 43.7 mmtm -103.08 -10.03 19.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.284 -0.416 . . . . 1.89 110.783 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.53 170.93 18.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.97 111.413 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 m -88.37 -61.19 1.77 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.813 -0.63 . . . . 1.26 110.938 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -133.78 171.58 13.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.955 -0.387 . . . . 2.21 109.955 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.549 ' HB ' ' HD3' ' A' ' 102' ' ' LYS . 23.1 pt -57.45 -51.65 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 112.088 0.403 . . . . 0.94 112.088 -172.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.6 t -73.41 -8.3 55.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.076 0.398 . . . . 1.86 112.076 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.15 -4.58 42.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.571 0.7 . . . . 0.8 109.513 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.6 mt -109.58 104.88 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.023 -1.444 . . . . 1.04 109.657 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.11 113.23 25.05 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.24 -0.652 . . . . 1.68 109.24 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.402 HD11 HG21 ' A' ' 98' ' ' ILE . 30.3 mt -102.5 131.94 48.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.718 0.294 . . . . 1.45 110.347 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.03 132.13 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 1.05 110.133 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.0 tp -115.2 104.88 12.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.129 -0.487 . . . . 2.02 110.263 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt 60.7 41.86 14.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.475 0.655 . . . . 2.95 110.335 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.44 69.8 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.47 112.814 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -90.43 124.15 34.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 2.59 111.213 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.3 117.36 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 1.05 111.005 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.407 HD21 HD23 ' A' ' 135' ' ' LEU . 46.2 mt -89.56 142.32 27.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.02 -0.734 . . . . 1.04 109.02 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -88.7 176.34 7.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.003 -0.279 . . . . 2.21 111.145 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.421 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 9.5 p-10 -61.11 -50.7 72.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.273 -0.421 . . . . 0.45 111.979 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -115.05 29.18 8.21 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.595 0.591 . . . . 2.07 112.595 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 134.87 54.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.796 0.331 . . . . 1.11 110.45 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -77.48 141.31 39.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.57 110.202 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.07 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 1.11 111.538 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 m -64.11 -39.22 93.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.22 0.533 . . . . 1.81 110.633 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.37 -30.59 53.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 1.93 109.981 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.407 HD23 HD21 ' A' ' 126' ' ' LEU . 25.4 mt -75.15 -55.52 5.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.86 . . . . 1.22 110.785 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 61.3 tttp 57.44 72.74 0.5 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.752 -0.658 . . . . 3.45 111.052 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 141' ' ' ASN . 41.4 t -84.66 101.66 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 1.22 110.133 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 139' ' ' PRO . 40.2 p -91.76 167.53 15.17 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 1.52 109.975 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 138' ' ' THR . 80.7 Cg_exo -48.41 -35.12 27.28 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.126 1.884 . . . . 1.06 112.813 174.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.09 -28.25 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 1.42 111.594 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.424 ' O ' HG13 ' A' ' 137' ' ' VAL . 47.4 m-80 -113.79 27.69 9.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.258 -0.428 . . . . 1.23 110.075 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.2 p -75.05 -21.17 59.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.826 -0.625 . . . . 1.57 111.811 -172.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.4 m -72.99 110.7 7.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.131 0.491 . . . . 1.17 110.52 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 24.1 mm -113.27 137.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.946 -0.57 . . . . 1.1 109.849 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.3 m -92.51 113.79 26.17 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.414 -0.587 . . . . 1.06 109.414 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 14.2 p -113.82 111.5 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 122.213 1.006 . . . . 1.1 110.906 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 15.4 mmt -98.73 101.46 12.88 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.988 -1.005 . . . . 2.16 109.22 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.532 ' O ' ' HD2' ' A' ' 149' ' ' LYS . 55.0 mt -116.95 134.4 60.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.444 -0.344 . . . . 0.98 110.395 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.532 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 10.7 mmmm -128.01 91.03 45.88 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.791 -0.363 . . . . 1.73 110.061 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.78 111.577 178.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.037 0.446 . . . . 1.28 110.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -89.02 96.96 10.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 88' ' ' ILE . 53.1 mt -79.75 96.62 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.639 0.733 . . . . 1.43 109.516 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -94.77 102.5 14.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.814 -1.085 . . . . 1.81 109.955 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 148' ' ' ILE . 85.8 tttt -91.42 105.26 17.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 1.14 110.745 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.2 pt -106.74 27.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.607 -0.724 . . . . 1.31 110.743 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.462 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.3 mm-40 -102.38 -96.28 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.81 112.21 -175.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.54 133.26 5.43 Favored Pre-proline 0 C--N 1.332 -0.172 0 O-C-N 122.375 -0.203 . . . . 1.22 110.829 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -83.71 18.48 22.51 Favored 'Cis proline' 0 C--N 1.346 0.447 0 C-N-CA 123.642 -1.399 . . . . 1.17 112.273 -2.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 74.7 143.13 0.07 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.189 -0.914 . . . . 2.51 112.803 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.437 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.7 p90 -170.11 175.62 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.721 -1.127 . . . . 0.38 108.32 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -144.2 116.1 8.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.027 0.441 . . . . 1.84 109.898 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.426 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 22.3 pt -119.41 159.41 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.856 -0.611 . . . . 1.05 110.772 -175.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -123.3 116.54 23.51 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.361 -0.607 . . . . 1.53 109.361 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -134.88 122.86 22.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.787 0.327 . . . . 3.09 110.729 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -95.25 145.39 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.857 0.36 . . . . 1.83 110.035 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -141.14 162.12 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 1.21 110.012 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -74.33 144.36 81.22 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 0.83 110.384 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.9 -3.54 10.7 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.896 2.397 . . . . 0.84 113.149 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -113.81 9.9 17.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.031 0.443 . . . . 1.13 110.526 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -82.57 172.46 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.711 . . . . 1.37 109.079 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.557 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 24.0 p -116.11 151.8 34.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.792 0.33 . . . . 1.1 110.965 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.7 mm -57.18 -29.4 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.803 -0.635 . . . . 1.14 110.364 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.31 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 1.47 110.403 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.557 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 32.2 mm-40 -67.49 -37.63 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.764 -0.458 . . . . 0.7 109.764 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.98 110.18 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.624 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 76.6 mttt -65.31 -47.96 74.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.574 -0.739 . . . . 1.69 110.797 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -59.93 -25.35 65.09 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.369 0.604 . . . . 0.83 110.287 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.9 t60 -75.61 -41.29 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.145 -0.934 . . . . 2.1 109.419 -174.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.0 mt -68.92 -34.11 74.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.061 -0.518 . . . . 1.05 109.913 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 102' ' ' LYS . 75.7 mt -61.38 -47.72 92.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 1.07 110.257 173.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.7 p -65.85 -24.3 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.625 . . . . 1.14 111.877 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.7 pt-20 -106.8 20.42 19.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.723 -0.391 . . . . 0.42 111.474 178.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.51 41.45 28.67 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.767 -0.651 . . . . 1.86 112.29 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.417 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.4 mmtm -100.65 -11.0 20.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.925 -0.579 . . . . 1.89 109.75 174.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.89 -178.15 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.444 -0.798 . . . . 0.97 110.721 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.6 m -103.94 -59.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.262 -0.426 . . . . 1.26 111.642 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -133.16 173.72 11.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.763 -0.199 . . . . 2.21 110.542 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.624 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 26.2 pt -65.44 -50.64 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.307 0.484 . . . . 0.94 112.307 -170.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.4 t -70.61 -13.8 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.064 -0.398 . . . . 1.86 111.475 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 9.4 mm-40 -73.49 -5.94 43.28 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.505 0.669 . . . . 0.8 109.464 174.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.9 mt -116.02 102.18 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 114.309 -1.314 . . . . 1.04 109.456 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.99 112.95 24.93 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.372 -0.603 . . . . 1.68 109.372 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.38 127.85 43.69 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.132 -0.322 . . . . 1.45 110.132 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 5.0 mp -124.33 134.68 53.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.98 -0.378 . . . . 1.05 109.98 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.68 101.49 9.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.8 -0.815 . . . . 2.02 108.8 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.4 tttp 61.4 36.01 17.55 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.719 0.771 . . . . 2.95 109.653 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.43 -11.79 71.13 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.585 -0.734 . . . . 0.47 112.799 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 4.9 tppp? -74.44 119.63 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 2.59 110.85 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -70.86 112.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 1.05 110.616 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.414 HD22 HD22 ' A' ' 135' ' ' LEU . 46.2 mt -88.88 132.35 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.417 -0.586 . . . . 1.04 109.417 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -77.15 162.15 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.149 -0.221 . . . . 2.21 111.251 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -51.25 -44.78 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.35 0.406 . . . . 0.45 111.821 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -114.81 28.87 8.42 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.176 0.806 . . . . 2.07 113.176 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 133.24 46.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.622 0.249 . . . . 1.11 110.373 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.452 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 57.1 m-85 -76.84 140.91 40.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.57 110.586 177.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.25 -15.21 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.11 111.207 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 t -69.62 -31.25 69.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.186 0.517 . . . . 1.81 109.794 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -82.6 -17.95 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.758 -0.655 . . . . 1.93 109.9 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 47.5 mt -92.66 -56.49 2.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.539 -0.755 . . . . 1.22 110.84 -176.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.5 mttp 55.01 76.14 0.27 Allowed 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.734 0.646 . . . . 3.45 110.541 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.47 100.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.303 0.573 . . . . 1.22 110.069 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 33.9 p -68.97 139.11 90.35 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.035 -0.984 . . . . 1.52 110.447 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -53.8 -27.9 45.43 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.179 2.586 . . . . 1.06 113.141 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.14 -22.67 59.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 1.42 111.146 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -125.54 45.21 2.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.254 -0.647 . . . . 1.23 109.254 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p -86.66 -8.66 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.387 -0.824 . . . . 1.57 111.437 -174.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.8 m -80.89 99.04 8.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.196 0.522 . . . . 1.17 109.852 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.0 mm -89.13 131.29 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.452 -0.794 . . . . 1.1 109.603 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.0 m -85.93 104.62 15.74 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.877 -0.786 . . . . 1.06 108.877 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 146' ' ' VAL . 8.8 p -105.23 107.74 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 122.45 1.119 . . . . 1.1 110.843 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 57.5 mtt -88.16 102.82 15.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.851 -1.068 . . . . 2.16 109.575 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' ' 116' ' ' GLU . 68.5 mt -121.23 135.22 62.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.382 -0.372 . . . . 0.98 111.142 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.462 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.3 mmtp -132.63 97.19 17.65 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 1.73 109.802 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 N--CA 1.464 -0.22 0 C-N-CA 122.539 2.159 . . . . 0.78 111.767 179.821 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.05 0.453 . . . . 1.28 110.107 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.4 m -83.31 93.57 7.75 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.268 -0.642 . . . . 1.0 109.268 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 88' ' ' ILE . 17.8 mt -79.5 96.83 6.21 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.874 -0.787 . . . . 1.43 108.874 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' C ' HG12 ' A' ' 146' ' ' VAL . 83.6 tttt -95.88 113.54 25.17 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.377 -0.828 . . . . 1.81 110.522 -173.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 88.6 tttt -97.38 111.32 23.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.897 -0.592 . . . . 1.14 110.591 -175.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 38.0 pt -113.26 18.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.875 -0.602 . . . . 1.31 111.442 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 15.0 mm-40 -98.36 -90.85 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.88 0.326 . . . . 1.81 111.88 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.56 139.09 3.05 Favored Pre-proline 0 N--CA 1.465 0.298 0 C-N-CA 121.482 -0.087 . . . . 1.22 111.146 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.39 15.11 12.42 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 124.031 -1.237 . . . . 1.17 112.612 -7.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 75.74 154.73 0.16 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.503 0.721 . . . . 2.51 112.566 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -175.21 -179.04 1.26 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.431 -0.804 . . . . 0.38 109.385 173.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -145.79 104.85 3.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.884 0.373 . . . . 1.84 110.198 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.432 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 19.6 pt -116.42 158.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.185 -0.461 . . . . 1.05 110.83 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -130.81 121.31 25.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.788 -0.449 . . . . 1.53 109.788 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -127.85 144.57 51.09 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.896 0.379 . . . . 3.09 110.939 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -100.58 123.8 45.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.977 -0.556 . . . . 1.83 110.791 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CD2' HG12 ' A' ' 101' ' ' ILE . 88.9 m-85 -132.94 153.57 51.28 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.695 -0.684 . . . . 1.21 109.348 177.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -70.92 141.73 87.19 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.562 -0.29 . . . . 0.83 110.228 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.8 -3.29 6.6 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.722 2.282 . . . . 0.84 113.426 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 p -113.6 8.19 17.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 1.13 110.677 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -82.8 172.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.683 -0.69 . . . . 1.37 109.8 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.541 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 43.9 p -104.29 148.9 25.83 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.99 0.424 . . . . 1.1 110.755 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.415 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 41.2 mm -59.65 -24.15 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.536 -0.756 . . . . 1.14 109.442 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.21 -39.31 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 1.47 110.062 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.541 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.4 mm-40 -65.93 -36.83 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.7 109.851 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.421 HG12 ' CD2' ' A' ' 92' ' ' PHE . 45.1 mt -64.25 -48.83 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.515 -0.766 . . . . 0.98 110.4 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 89.2 mttt -65.59 -43.49 89.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.706 -0.679 . . . . 1.69 110.893 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -59.08 -27.22 65.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.83 110.562 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.562 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 59.8 t-80 -79.45 -38.16 35.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.56 -0.746 . . . . 2.1 109.693 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.49 -30.32 69.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.66 -0.496 . . . . 1.05 109.66 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 102' ' ' LYS . 74.4 mt -66.45 -45.34 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 1.07 110.088 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -73.88 -12.47 60.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.767 -0.651 . . . . 1.14 111.505 -173.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 15.7 pt-20 -112.13 22.02 15.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.742 0.306 . . . . 0.42 111.053 175.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 57.31 39.16 28.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.762 -0.654 . . . . 1.86 112.721 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.483 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 74.0 mmtt -101.02 -18.78 16.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.201 -0.454 . . . . 1.89 110.2 175.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -152.82 176.33 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.97 111.218 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t -96.57 -50.84 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 1.26 111.259 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -137.94 168.64 19.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.34 -0.144 . . . . 2.21 111.089 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.642 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 18.8 pt -60.83 -48.24 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 111.879 0.326 . . . . 0.94 111.879 -175.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.1 t -72.91 -11.63 60.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.72 0.295 . . . . 1.86 111.59 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 46.8 mm-40 -78.84 -4.03 47.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.848 0.832 . . . . 0.8 109.334 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.7 mt -116.12 128.69 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 113.58 -1.646 . . . . 1.04 108.537 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.486 ' HD3' HG12 ' A' ' 125' ' ' VAL . 2.3 tmmm? -137.05 115.26 11.67 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.822 -0.751 . . . . 1.68 110.538 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 145' ' ' THR . 56.4 mt -91.73 146.57 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.437 -0.801 . . . . 1.45 109.961 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 145' ' ' THR . 4.2 mp -129.26 136.19 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.977 -0.379 . . . . 1.05 109.977 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 tt -115.55 108.59 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.615 -0.883 . . . . 2.02 108.615 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 122' ' ' LYS . 61.1 tttp 64.56 28.8 13.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.793 0.806 . . . . 2.95 109.824 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.08 -12.47 67.62 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.621 -0.718 . . . . 0.47 112.412 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -73.31 120.72 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.733 0.301 . . . . 2.59 110.541 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.486 HG12 ' HD3' ' A' ' 118' ' ' LYS . 51.1 t -63.29 120.96 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.608 -0.724 . . . . 1.05 111.15 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.0 mt -99.14 120.44 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.79 -0.641 . . . . 1.04 109.788 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -72.75 170.53 14.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.211 -0.449 . . . . 2.21 111.307 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.409 ' HA ' ' HZ2' ' A' ' 102' ' ' LYS . 5.7 p-10 -55.14 -47.65 74.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.223 -0.444 . . . . 0.45 112.04 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -109.56 29.52 7.49 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.45 0.907 . . . . 2.07 113.45 -172.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.74 139.42 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.155 -0.341 . . . . 1.11 110.292 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.487 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 51.3 m-85 -88.57 141.75 28.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.294 . . . . 0.57 110.839 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.7 -16.92 62.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.274 -0.421 . . . . 1.11 111.056 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 p -70.07 -26.25 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.105 0.478 . . . . 1.81 110.644 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -83.82 -36.85 23.19 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.235 -0.654 . . . . 1.93 109.235 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 29.9 mt -70.73 -50.83 32.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.033 -0.985 . . . . 1.22 111.022 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt 59.82 75.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.629 -0.714 . . . . 3.45 110.22 -174.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 t -75.23 101.99 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 1.22 109.34 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.9 p -83.54 155.15 65.86 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.113 -0.494 . . . . 1.52 111.168 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.79 -44.88 21.44 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.014 2.476 . . . . 1.06 113.57 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.57 58.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.505 -0.316 . . . . 1.42 111.782 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -109.33 38.49 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.0 0.429 . . . . 1.23 110.45 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.6 p -85.1 -11.19 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.039 -0.528 . . . . 1.57 111.492 -176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 33.7 m -80.97 102.08 9.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.402 0.62 . . . . 1.17 110.055 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 17.5 mm -99.74 143.01 14.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.447 -0.797 . . . . 1.1 109.804 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 7.9 m -86.34 107.72 18.12 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.072 -0.344 . . . . 1.06 110.072 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 148' ' ' ILE . 8.3 p -103.83 118.33 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 122.18 0.99 . . . . 1.1 110.772 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 58.8 mtt -105.39 107.55 18.59 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.849 -1.069 . . . . 2.16 109.815 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.468 HG13 HG21 ' A' ' 146' ' ' VAL . 68.0 mt -129.04 141.84 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.98 110.567 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -132.67 95.84 19.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 123.272 0.358 . . . . 1.73 110.15 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--N 1.344 0.29 0 C-N-CA 123.313 2.675 . . . . 0.78 112.372 -178.516 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 121.05 0.452 . . . . 1.28 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -99.59 96.17 7.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.9 mt -82.74 99.61 9.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.97 -0.559 . . . . 1.43 110.054 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -91.6 121.7 33.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 1.81 110.419 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.469 ' HB2' HG12 ' A' ' 146' ' ' VAL . 85.4 tttt -116.15 118.39 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 1.14 111.476 -174.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.406 HD13 HG22 ' A' ' 81' ' ' ILE . 7.9 pt -126.39 43.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.348 0.594 . . . . 1.31 111.267 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.471 ' N ' ' HG2' ' A' ' 85' ' ' LYS . 29.0 mm-40 -114.69 -85.92 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 1.81 111.285 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.68 133.61 3.19 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 110.561 -0.163 . . . . 1.22 110.561 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -82.84 13.31 33.51 Favored 'Cis proline' 0 C--N 1.346 0.396 0 C-N-CA 123.976 -1.26 . . . . 1.17 112.046 -3.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.482 ' HB2' ' HZ1' ' A' ' 85' ' ' LYS . 9.7 mtmp? 74.44 143.63 0.07 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.409 -0.814 . . . . 2.51 112.09 175.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 2.6 p90 -178.83 -177.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.559 -0.746 . . . . 0.38 109.373 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -144.92 126.73 15.31 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 1.84 109.707 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 pt -128.22 139.85 50.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.28 -0.418 . . . . 1.05 111.359 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -105.48 117.36 33.82 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.843 -0.428 . . . . 1.53 109.843 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -132.56 146.46 51.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.856 0.36 . . . . 3.09 110.744 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -115.2 141.95 47.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.596 -0.52 . . . . 1.83 109.596 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -139.64 149.04 43.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.877 -0.601 . . . . 1.21 109.623 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -71.93 146.12 89.95 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.161 -0.472 . . . . 0.83 110.815 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.97 -43.63 46.56 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.495 2.13 . . . . 0.84 113.576 -173.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.2 m -87.5 9.75 19.94 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.886 -0.509 . . . . 1.13 111.927 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.17 153.99 24.5 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.989 -1.115 . . . . 1.37 107.989 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.517 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.1 p -100.72 156.48 17.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.262 0.553 . . . . 1.1 111.732 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.454 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 38.7 mm -56.59 -27.88 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.3 -0.864 . . . . 1.14 110.015 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.44 -37.57 87.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.979 -0.555 . . . . 1.47 109.741 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.517 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.8 mm-40 -66.34 -38.46 87.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.7 109.98 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.433 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 43.1 mt -64.08 -45.28 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.828 -0.624 . . . . 0.98 110.134 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 98' ' ' ILE . 2.4 mptm? -61.16 -53.54 55.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.368 -0.833 . . . . 1.69 111.337 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.54 -20.47 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.203 0.525 . . . . 0.83 110.474 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.651 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 5.9 t60 -77.26 -40.28 45.22 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.688 -0.856 . . . . 2.1 108.688 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 53.5 mt -73.25 -38.08 66.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 1.05 110.434 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 102' ' ' LYS . 80.7 mt -57.87 -47.47 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 1.07 110.28 173.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.0 p -72.67 -23.6 60.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 1.14 111.956 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -99.9 20.51 14.16 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.011 0.434 . . . . 0.42 111.096 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 55.92 46.39 22.15 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.45 -0.795 . . . . 1.86 111.909 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 39.9 mmtm -110.26 -7.4 14.85 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.832 -0.622 . . . . 1.89 110.338 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.63 -174.75 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.97 111.783 -174.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.6 t -108.91 -66.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.814 -0.63 . . . . 1.26 110.56 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -126.32 169.68 12.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.631 -0.259 . . . . 2.21 110.608 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 36.2 pt -61.6 -41.33 89.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.255 0.55 . . . . 0.94 111.052 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 114' ' ' ILE . 11.6 p -76.56 -17.01 59.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.417 0.525 . . . . 1.86 112.417 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -82.2 7.09 14.57 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.598 0.713 . . . . 0.8 110.098 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.427 ' CG2' ' HE2' ' A' ' 102' ' ' LYS . 69.4 mt -119.18 110.29 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 114.308 -1.314 . . . . 1.04 108.797 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -98.63 113.14 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.235 -0.654 . . . . 1.68 109.235 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.5 mt -101.27 126.81 48.04 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.847 -0.427 . . . . 1.45 109.847 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 mp -129.82 138.0 50.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 1.05 110.082 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.6 tp -114.7 100.71 8.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 2.02 110.018 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 56.02 41.64 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.486 -0.779 . . . . 2.95 110.854 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.0 -14.32 64.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.95 -0.643 . . . . 0.47 112.739 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -83.92 115.98 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.681 -0.305 . . . . 2.59 110.541 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.91 110.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.016 -0.538 . . . . 1.05 110.464 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.421 HD23 HD21 ' A' ' 135' ' ' LEU . 46.7 mt -83.98 135.76 34.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.321 -0.622 . . . . 1.04 109.321 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -84.25 161.63 20.43 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.918 -0.313 . . . . 2.21 110.994 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -47.47 -47.04 27.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.772 0.67 . . . . 0.45 112.427 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -116.11 28.69 8.44 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.571 0.952 . . . . 2.07 113.571 -174.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.428 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.21 141.2 58.14 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.205 -0.309 . . . . 1.11 110.541 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.522 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.0 m-85 -81.29 142.28 33.26 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.673 0.273 . . . . 0.57 110.794 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.21 -15.76 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 1.11 111.765 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.6 -22.92 62.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.058 0.456 . . . . 1.81 110.436 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -91.17 -22.8 20.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.791 -0.64 . . . . 1.93 109.822 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 34.1 mt -83.4 -53.79 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.372 -0.831 . . . . 1.22 110.486 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 58.75 70.08 0.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.544 -0.753 . . . . 3.45 111.06 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.1 t -80.45 102.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.22 110.223 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.5 p -84.3 160.28 57.41 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.626 -0.715 . . . . 1.52 111.175 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -46.27 -48.15 13.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.274 2.65 . . . . 1.06 113.953 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.23 -17.62 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 1.42 111.692 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.54 27.68 9.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 1.23 110.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.5 t -73.12 -16.98 61.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.749 -0.66 . . . . 1.57 111.362 -175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.7 m -69.3 103.21 1.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.345 0.593 . . . . 1.17 111.233 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.9 mm -106.49 141.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.561 -0.745 . . . . 1.1 109.541 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.1 m -96.15 117.66 31.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.409 -0.589 . . . . 1.06 109.409 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.482 HG21 HG13 ' A' ' 148' ' ' ILE . 11.6 p -116.53 111.69 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.116 0.96 . . . . 1.1 110.943 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 78.3 mtp -97.92 102.15 13.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.214 -0.903 . . . . 2.16 109.3 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.521 ' O ' ' HD2' ' A' ' 149' ' ' LYS . 52.4 mt -120.46 137.86 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 121.044 -0.263 . . . . 0.98 111.051 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.521 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 10.6 mmmm -127.32 107.23 21.39 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.753 -0.832 . . . . 1.73 108.753 172.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo . . . . . 0 C--O 1.234 0.278 0 C-N-CA 122.868 2.379 . . . . 0.78 112.733 -176.744 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.24 -0.282 . . . . 1.28 110.24 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 m -98.72 92.51 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.069 0.462 . . . . 1.0 110.321 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.419 ' HB2' HG13 ' A' ' 88' ' ' ILE . 6.8 mp -79.47 107.97 12.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.646 -0.706 . . . . 1.43 110.507 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -102.04 120.6 40.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.208 -0.451 . . . . 1.81 110.524 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.617 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.0 tttt -102.41 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 1.14 111.163 -173.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 pt -112.31 40.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 1.31 111.536 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -115.84 -90.81 0.54 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.81 111.39 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -165.19 136.09 3.11 Favored Pre-proline 0 C--N 1.332 -0.177 0 N-CA-C 110.469 -0.197 . . . . 1.22 110.469 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.87 13.71 23.49 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.536 -1.443 . . . . 1.17 112.317 -2.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 73.52 145.68 0.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.282 -0.872 . . . . 2.51 111.504 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -174.41 -177.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.38 109.843 177.16 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.6 m -142.48 123.5 14.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.909 -0.404 . . . . 1.84 109.909 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.419 HG13 ' HB2' ' A' ' 78' ' ' LEU . 20.6 pt -131.36 145.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.903 0.382 . . . . 1.05 110.852 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.05 118.67 34.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.242 -0.435 . . . . 1.53 109.829 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -129.71 127.02 39.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.319 -0.4 . . . . 3.09 110.627 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.43 146.13 28.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.362 -0.381 . . . . 1.83 110.16 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.489 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.6 m-85 -147.2 172.84 13.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.854 -0.612 . . . . 1.21 110.269 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.3 m -81.36 141.25 49.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.083 -0.508 . . . . 0.83 109.978 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.25 -16.46 51.18 Favored 'Trans proline' 0 C--O 1.219 -0.428 0 C-N-CA 123.077 2.518 . . . . 0.84 113.687 -175.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -103.89 9.96 36.56 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.653 -0.419 . . . . 1.13 111.337 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' OD1' ' HG3' ' A' ' 100' ' ' GLN . 13.5 t0 -86.62 167.91 14.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.357 -0.609 . . . . 1.37 109.357 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.9 p -105.75 153.51 21.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.302 0.573 . . . . 1.1 111.689 -176.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.02 -26.73 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.201 -0.909 . . . . 1.14 110.375 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.81 -38.5 82.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 1.47 109.814 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.497 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 28.2 mm-40 -65.44 -40.47 93.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.863 0.363 . . . . 0.7 110.097 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.489 HG12 ' CE2' ' A' ' 92' ' ' PHE . 48.3 mt -64.46 -47.09 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.98 110.381 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 114' ' ' ILE . 92.0 mttt -65.47 -45.9 81.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.607 -0.724 . . . . 1.69 111.454 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -59.5 -27.85 66.51 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.287 0.565 . . . . 0.83 110.289 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.552 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 48.3 t-80 -76.14 -42.3 47.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.376 -0.829 . . . . 2.1 109.218 -175.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 42.0 mt -63.44 -35.92 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.969 -0.56 . . . . 1.05 110.019 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.484 HD11 ' N ' ' A' ' 114' ' ' ILE . 76.0 mt -63.16 -46.77 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 1.07 110.3 172.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.8 p -68.54 -16.28 63.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.921 -0.581 . . . . 1.14 111.585 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.9 pt-20 -108.57 19.65 19.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.97 0.415 . . . . 0.42 110.693 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 58.3 35.51 24.94 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.523 -0.762 . . . . 1.86 112.903 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.456 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 75.8 mmtt -101.13 -10.13 20.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.347 -0.388 . . . . 1.89 110.62 177.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.31 173.02 17.48 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.139 -0.482 . . . . 0.97 111.849 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.5 t -92.74 -64.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 1.26 110.576 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -129.18 168.08 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.945 -0.391 . . . . 2.21 109.945 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 30.3 pt -57.76 -42.39 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.436 . . . . 0.94 111.142 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 p -77.88 -9.52 59.1 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.648 0.61 . . . . 1.86 112.648 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -83.03 -2.76 56.15 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.964 0.888 . . . . 0.8 109.087 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.41 HD12 HD11 ' A' ' 105' ' ' LEU . 64.8 mt -106.86 111.36 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 113.825 -1.534 . . . . 1.04 109.159 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 147' ' ' MET . 0.2 OUTLIER -98.01 112.11 24.17 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.32 -0.993 . . . . 1.68 108.32 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 126' ' ' LEU . 14.6 mt -104.95 129.62 53.31 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.751 0.31 . . . . 1.45 110.224 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.34 138.7 49.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.971 -0.559 . . . . 1.05 109.845 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.0 tt -113.19 100.33 8.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.495 -0.928 . . . . 2.02 108.495 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 52.3 40.8 29.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.312 -0.858 . . . . 2.95 110.588 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.51 -21.57 43.53 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.653 -0.703 . . . . 0.47 113.053 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -74.71 117.07 16.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.862 0.363 . . . . 2.59 110.969 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.05 119.55 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.723 -0.671 . . . . 1.05 110.947 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 119' ' ' LEU . 37.2 mt -96.38 121.43 38.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.434 -0.58 . . . . 1.04 109.434 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -74.58 -177.97 3.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 2.21 111.332 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.401 ' HA ' ' HZ2' ' A' ' 102' ' ' LYS . 8.5 p-10 -60.47 -53.38 58.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.45 112.217 -176.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -115.25 29.28 8.13 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.927 0.714 . . . . 2.07 112.927 -173.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.77 132.55 49.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.62 0.248 . . . . 1.11 110.549 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.45 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 65.1 m-85 -77.29 142.06 39.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.796 0.331 . . . . 0.57 110.861 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.52 -15.74 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 1.11 111.193 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -70.86 -27.26 63.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.151 0.501 . . . . 1.81 110.293 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.22 -31.15 25.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.333 -0.617 . . . . 1.93 109.333 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 25.5 mt -75.26 -53.76 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.927 -1.033 . . . . 1.22 110.897 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 60.9 75.18 0.42 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.88 -0.6 . . . . 3.45 110.758 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.89 101.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 1.22 109.505 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 72.1 p -76.35 153.06 83.98 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.15 -0.477 . . . . 1.52 110.451 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.2 -7.77 7.19 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.49 2.794 . . . . 1.06 113.213 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -99.85 -35.06 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.948 0.404 . . . . 1.42 110.575 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -104.07 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 1.23 110.346 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.6 m -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 1.57 110.944 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.5 m -75.22 105.14 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 1.17 110.446 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.4 ' CG2' HD23 ' A' ' 119' ' ' LEU . 35.0 mm -103.28 131.47 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.75 -0.659 . . . . 1.1 110.093 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.3 m -89.09 115.64 26.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.445 -0.576 . . . . 1.06 109.445 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.617 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 11.8 p -115.22 114.21 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-O 122.2 1.0 . . . . 1.1 110.727 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.452 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 63.4 mtt -102.24 101.13 11.39 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.283 -0.871 . . . . 2.16 109.256 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.498 HG13 HG22 ' A' ' 146' ' ' VAL . 75.4 mt -115.02 134.75 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.554 . . . . 0.98 110.434 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -126.38 97.28 34.46 Favored Pre-proline 0 C--N 1.316 -0.859 0 N-CA-C 109.349 -0.611 . . . . 1.73 109.349 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 C--N 1.344 0.298 0 C-N-CA 122.951 2.434 . . . . 0.78 112.211 -178.225 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.002 0.429 . . . . 4.2 110.407 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.5 t -77.28 88.15 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.513 0.673 . . . . 1.95 109.956 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.437 ' C ' HD12 ' A' ' 76' ' ' LEU . 82.5 t60 -104.6 124.67 49.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.228 -0.896 . . . . 3.9 110.467 -174.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 90' ' ' HIS . 7.2 mp -126.81 114.9 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 1.28 111.242 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 m -98.94 107.45 19.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.546 -0.539 . . . . 1.0 109.546 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' HB2' HG13 ' A' ' 88' ' ' ILE . 17.2 mt -87.78 105.02 17.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.019 -0.363 . . . . 1.43 110.019 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -100.17 117.28 34.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.997 0.427 . . . . 1.81 110.635 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 83.3 tttt -101.03 109.3 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 1.14 110.998 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.8 pt -112.61 30.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.037 -0.529 . . . . 1.31 111.402 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -104.15 -89.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.366 -0.379 . . . . 1.81 111.774 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.05 136.66 3.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 110.392 -0.225 . . . . 1.22 110.392 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.24 16.6 18.68 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.926 -1.281 . . . . 1.17 111.916 -2.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 72.56 143.51 0.06 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.256 -0.883 . . . . 2.51 112.311 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.472 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 1.6 p90 -175.08 -177.52 1.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.354 -0.839 . . . . 0.38 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 p -138.17 120.1 15.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.823 0.345 . . . . 1.84 110.072 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.431 HG13 ' HB2' ' A' ' 78' ' ' LEU . 27.8 pt -127.52 175.92 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 1.05 110.249 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -149.79 146.26 27.07 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.264 -0.426 . . . . 1.53 109.87 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 76' ' ' LEU . 11.1 p80 -144.46 152.64 40.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 3.09 110.597 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.24 122.09 30.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 1.83 109.945 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -137.65 161.44 36.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.424 -0.353 . . . . 1.21 110.145 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -84.95 148.41 50.75 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.852 -0.613 . . . . 0.83 109.764 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -51.71 -28.86 31.31 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.994 3.129 . . . . 0.84 114.867 -168.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.5 m -81.06 -2.06 46.65 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.815 -0.553 . . . . 1.13 112.288 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.37 163.43 27.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.953 -0.758 . . . . 1.37 108.953 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.602 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 74.5 p -118.3 155.86 29.88 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 1.1 111.427 -176.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.486 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 30.6 mm -53.17 -34.36 21.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.516 -0.765 . . . . 1.14 110.571 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 1.47 110.867 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.602 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 75.7 mm-40 -69.28 -38.76 78.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.026 0.441 . . . . 0.7 109.844 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.9 mt -63.08 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 0.98 109.713 174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' A' ' 98' ' ' ILE . 2.4 mptm? -62.96 -51.64 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 1.69 111.432 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -54.07 -27.05 30.09 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.83 110.268 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.663 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 61.1 t-80 -76.29 -44.51 36.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.324 -0.853 . . . . 2.1 109.298 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.28 -31.48 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 1.05 110.09 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 114' ' ' ILE . 74.2 mt -65.8 -48.71 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 1.07 110.403 172.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.6 p -68.72 -23.7 64.38 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.869 -0.605 . . . . 1.14 111.468 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 14.5 pt-20 -99.26 13.28 33.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.102 0.477 . . . . 0.42 111.048 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.84 44.6 28.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.28 -0.873 . . . . 1.86 112.311 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.439 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 30.5 mmtp -104.94 -1.29 26.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.567 -0.742 . . . . 1.89 109.15 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -162.28 -179.89 7.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.868 -1.06 . . . . 0.97 110.778 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.2 m -103.16 -60.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.521 . . . . 1.26 110.916 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -130.72 169.44 15.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.622 -0.263 . . . . 2.21 110.963 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.466 ' N ' HD13 ' A' ' 106' ' ' ILE . 38.9 pt -59.67 -42.83 89.79 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 121.265 0.555 . . . . 0.94 111.092 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 114' ' ' ILE . 5.1 p -74.35 -23.93 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.739 0.644 . . . . 1.86 112.739 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -74.34 -0.65 17.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.494 0.664 . . . . 0.8 110.296 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.411 HD13 ' HG3' ' A' ' 102' ' ' LYS . 56.6 mt -111.84 116.93 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.527 -1.215 . . . . 1.04 109.323 176.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 113.59 27.21 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.536 -0.542 . . . . 1.68 109.536 176.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.6 mt -100.66 123.82 45.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.538 -0.542 . . . . 1.45 109.538 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -122.15 134.17 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 1.05 110.304 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.3 tp -114.98 110.76 20.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.902 -0.59 . . . . 2.02 109.606 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.9 tptt 62.59 31.69 16.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 2.95 110.277 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.81 -5.04 85.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.973 -0.632 . . . . 0.47 112.649 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -83.71 125.27 31.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.728 0.299 . . . . 2.59 110.348 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.86 112.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.856 -0.611 . . . . 1.05 110.657 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 27.6 mt -86.31 139.96 30.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.222 -0.659 . . . . 1.04 109.222 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -84.45 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.985 -0.286 . . . . 2.21 110.944 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -46.72 -47.47 20.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.773 0.671 . . . . 0.45 112.477 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -115.12 29.67 7.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.434 0.902 . . . . 2.07 113.434 -174.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 129.5 39.95 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.097 -0.377 . . . . 1.11 110.687 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -74.5 142.81 44.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.808 0.337 . . . . 0.57 111.001 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.71 -15.36 61.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 1.11 111.628 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.9 m -76.42 -20.54 56.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 1.81 110.382 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.013 -0.736 . . . . 1.93 109.013 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.8 mt -71.16 -52.81 17.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.102 -0.954 . . . . 1.22 110.341 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 58.33 58.55 3.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.897 -0.592 . . . . 3.45 110.417 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.32 102.97 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 1.22 110.159 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.5 p -76.52 145.26 75.24 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.451 -0.795 . . . . 1.52 110.395 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -50.37 -25.81 14.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.57 2.847 . . . . 1.06 113.272 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.56 -19.7 57.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.368 -0.378 . . . . 1.42 111.342 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -125.8 39.46 3.95 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.546 -0.539 . . . . 1.23 109.546 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.8 p -78.85 -8.27 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.73 -0.668 . . . . 1.57 112.532 -171.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 36.9 m -76.2 111.26 11.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 1.17 110.922 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.3 mm -107.54 136.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.783 -0.644 . . . . 1.1 110.075 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 9.4 m -92.42 111.83 23.55 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.233 -0.654 . . . . 1.06 109.233 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.539 HG22 HG13 ' A' ' 148' ' ' ILE . 14.0 p -107.32 113.01 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.151 0.977 . . . . 1.1 110.649 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 62.5 mtt -102.32 101.29 11.54 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.225 -0.898 . . . . 2.16 109.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.539 HG13 HG22 ' A' ' 146' ' ' VAL . 63.0 mt -118.15 137.31 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 CA-C-N 116.209 -0.451 . . . . 0.98 110.616 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.3 mmmm -126.62 100.45 28.5 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.365 -0.605 . . . . 1.73 109.365 173.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.49 163.3 30.36 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.905 2.403 . . . . 0.78 112.16 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -70.84 88.55 0.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.798 0.809 . . . . 3.79 110.68 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.05 78.8 8.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.571 -0.74 . . . . 6.02 109.622 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -10.94 26.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.373 -0.831 . . . . 5.3 111.548 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 61.6 38.3 15.55 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.41 -0.814 . . . . 8.73 112.596 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -85.74 -54.91 4.24 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.655 -0.418 . . . . 8.61 110.475 177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -77.95 -26.06 48.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.123 0.487 . . . . 9.6 110.06 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -76.31 -25.85 55.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.771 -0.649 . . . . 11.67 111.234 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -99.63 119.7 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.998 0.428 . . . . 14.29 110.121 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.316 -0.849 . . . . 16.06 109.545 178.774 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.668 0.27 . . . . 4.2 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.23 147.29 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.931 -0.396 . . . . 1.95 109.931 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -108.86 127.43 54.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.565 0.221 . . . . 3.9 110.796 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -113.19 116.65 30.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.252 -0.431 . . . . 1.28 110.367 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.5 m -94.54 96.61 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.137 0.494 . . . . 1.0 109.793 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -83.03 100.92 10.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.638 -0.71 . . . . 1.43 110.076 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -90.88 116.82 29.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.006 0.431 . . . . 1.81 110.134 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 86.8 tttt -99.13 110.73 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.849 -0.614 . . . . 1.14 110.502 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.8 pt -112.62 28.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 1.31 111.757 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -106.09 -91.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 1.81 111.396 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.53 138.16 2.88 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 110.366 -0.235 . . . . 1.22 110.366 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -80.53 12.8 24.14 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.697 -1.376 . . . . 1.17 112.192 -1.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm 72.1 148.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.243 -0.89 . . . . 2.51 112.665 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -178.9 -177.24 0.48 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.16 -0.927 . . . . 0.38 109.586 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -140.99 119.09 11.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.77 0.319 . . . . 1.84 110.192 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.36 150.21 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.356 -0.384 . . . . 1.05 111.166 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -120.41 117.3 27.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.174 -0.467 . . . . 1.53 109.849 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -133.44 132.68 41.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.155 -0.475 . . . . 3.09 109.963 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.89 142.29 38.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.349 0.595 . . . . 1.83 110.919 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.621 ' CE1' HG12 ' A' ' 101' ' ' ILE . 45.3 m-85 -140.49 173.01 11.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.108 -0.951 . . . . 1.21 108.939 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.1 m -104.61 150.68 38.83 Favored Pre-proline 0 C--N 1.315 -0.914 0 O-C-N 122.116 -0.365 . . . . 0.83 110.123 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.18 -38.77 33.6 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.753 2.302 . . . . 0.84 113.806 -172.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -80.1 -2.2 43.43 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.854 -0.529 . . . . 1.13 112.25 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -76.45 161.48 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.116 -0.698 . . . . 1.37 109.116 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 p -108.17 156.21 19.57 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.839 0.352 . . . . 1.1 110.698 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.578 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 36.0 mm -57.57 -29.24 33.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.216 173.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.28 -32.08 71.91 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.386 -0.37 . . . . 1.47 110.629 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -64.41 -42.19 96.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.7 109.296 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.621 HG12 ' CE1' ' A' ' 92' ' ' PHE . 48.7 mt -66.76 -44.16 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.136 -0.938 . . . . 0.98 110.1 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 31.1 mmtp -58.07 -57.7 11.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.22 -0.9 . . . . 1.69 110.967 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' A' ' 106' ' ' ILE . 64.8 mm-40 -60.57 -24.06 65.14 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.83 111.054 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.693 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 50.3 t-80 -72.89 -46.79 50.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.95 -0.759 . . . . 2.1 108.95 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.51 -36.27 83.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 1.05 110.283 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.492 HD13 ' N ' ' A' ' 114' ' ' ILE . 79.4 mt -60.02 -48.01 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.968 0.413 . . . . 1.07 110.523 173.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.4 p -68.18 -23.46 64.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 1.14 111.656 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.5 pt-20 -101.66 18.75 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 0.42 111.197 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.82 28.86 17.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.729 -0.669 . . . . 1.86 112.63 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.512 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.0 mmtm -88.99 -23.45 22.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.333 -0.394 . . . . 1.89 110.308 177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.34 167.47 27.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 0.97 111.31 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.1 m -86.55 -55.47 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 1.26 111.395 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.461 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 68.0 m80 -133.52 169.12 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.707 -0.224 . . . . 2.21 110.777 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.492 ' N ' HD13 ' A' ' 106' ' ' ILE . 20.3 pt -58.67 -47.68 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 112.345 0.498 . . . . 0.94 112.345 -174.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 m -83.86 -5.63 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.971 0.36 . . . . 1.86 111.971 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.461 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 16.8 mm-40 -75.18 -6.89 52.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.968 0.89 . . . . 0.8 108.945 173.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.493 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 46.8 mt -105.52 112.64 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 113.466 -1.697 . . . . 1.04 108.742 173.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.44 113.06 25.2 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.093 -0.706 . . . . 1.68 109.093 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.407 ' HB3' HD13 ' A' ' 126' ' ' LEU . 29.4 mt -102.51 131.23 49.36 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.805 0.336 . . . . 1.45 110.311 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 mp -133.88 142.68 47.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.986 -0.552 . . . . 1.05 109.878 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.9 tp -114.28 99.28 7.48 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.539 -0.541 . . . . 2.02 109.539 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 53.12 42.46 32.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.481 -0.781 . . . . 2.95 111.212 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.95 -21.91 42.64 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.499 -0.773 . . . . 0.47 112.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -75.87 116.67 16.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.822 0.344 . . . . 2.59 110.579 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.93 120.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.974 -0.557 . . . . 1.05 110.909 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.454 HD22 HD22 ' A' ' 135' ' ' LEU . 32.5 mt -96.77 129.64 44.16 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.89 -0.781 . . . . 1.04 108.89 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -79.97 166.95 21.09 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.038 -0.265 . . . . 2.21 111.261 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -57.27 -46.85 82.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.923 0.342 . . . . 0.45 111.923 -174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -115.92 29.99 7.63 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.131 0.491 . . . . 2.07 111.759 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 135.47 43.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.987 -0.446 . . . . 1.11 109.998 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.462 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 61.7 m-85 -73.02 144.24 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.57 110.701 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.66 -15.04 61.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 1.11 111.766 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.95 -32.04 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 1.81 110.778 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.99 -21.54 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.809 -0.632 . . . . 1.93 110.24 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 23.0 mt -89.79 -52.8 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.576 -0.738 . . . . 1.22 110.126 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.487 ' HZ3' ' HB2' ' A' ' 136' ' ' LYS . 4.4 ttmp? 60.36 77.32 0.33 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.236 -0.893 . . . . 3.45 111.272 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.64 102.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 1.22 109.635 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 31.8 p -75.86 145.21 77.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.074 -0.512 . . . . 1.52 110.016 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.94 -22.19 37.11 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.064 2.509 . . . . 1.06 113.057 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.02 31.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 1.42 110.837 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.12 41.13 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.236 -0.653 . . . . 1.23 109.236 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.3 p -81.93 6.18 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.467 -0.788 . . . . 1.57 112.461 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 17.6 m -78.68 109.81 13.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.102 0.477 . . . . 1.17 110.686 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 37.4 mm -111.21 142.4 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.872 -0.604 . . . . 1.1 110.111 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 28.8 m -96.93 118.86 34.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.486 -0.561 . . . . 1.06 109.486 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 14.6 p -118.93 115.43 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 122.06 0.933 . . . . 1.1 110.858 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 57.0 mtm -101.71 101.29 11.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.3 -0.863 . . . . 2.16 109.468 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.477 HG13 HG23 ' A' ' 146' ' ' VAL . 53.4 mt -113.58 137.04 48.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.393 -0.367 . . . . 0.98 110.083 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 88.8 24.92 Favored Pre-proline 0 C--N 1.318 -0.793 0 N-CA-C 108.971 -0.751 . . . . 1.73 108.971 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.46 155.46 68.72 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.734 2.289 . . . . 0.78 112.767 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -105.88 73.78 1.02 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.969 -0.56 . . . . 3.79 110.134 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 50.3 tp -94.86 -48.39 6.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 6.02 109.766 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -83.25 142.07 31.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.616 -0.72 . . . . 5.3 109.777 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -100.03 121.37 41.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.984 0.421 . . . . 8.73 110.159 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -111.85 11.06 20.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.926 0.343 . . . . 8.61 111.926 -174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -95.2 12.4 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.193 0.521 . . . . 9.6 110.504 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -85.81 -18.1 33.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.422 -0.808 . . . . 11.67 109.293 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -135.8 122.05 20.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.448 -0.796 . . . . 14.29 109.418 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.776 -0.63 . . . . 16.06 110.429 -179.624 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 93.4 mmm . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.989 0.423 . . . . 4.2 110.472 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.8 t -101.03 96.77 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.751 -0.463 . . . . 1.95 109.751 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -103.52 128.78 50.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.25 -0.432 . . . . 3.9 110.752 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.57 117.37 32.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.309 -0.405 . . . . 1.28 110.645 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 48.9 m -89.79 93.94 9.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.415 ' HB2' HG13 ' A' ' 88' ' ' ILE . 14.2 mt -81.98 97.35 8.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.976 -0.556 . . . . 1.43 109.554 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.78 116.37 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.81 110.598 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 87.4 tttt -98.65 111.1 23.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 1.14 110.769 -176.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.9 pt -114.24 20.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.891 -0.595 . . . . 1.31 111.988 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -101.54 -88.71 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.723 -0.391 . . . . 1.81 111.492 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.5 143.01 2.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 122.404 -0.185 . . . . 1.22 110.668 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -76.53 13.46 9.53 Favored 'Cis proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.953 -1.27 . . . . 1.17 113.232 -7.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.6 mttp 74.67 147.13 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.733 0.813 . . . . 2.51 112.446 173.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -173.73 178.01 2.35 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.73 -0.668 . . . . 0.38 109.941 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.8 p -136.38 119.52 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.706 0.289 . . . . 1.84 110.417 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.415 HG13 ' HB2' ' A' ' 78' ' ' LEU . 24.6 pt -132.81 143.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 1.05 110.829 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -119.69 121.44 39.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.366 -0.379 . . . . 1.53 109.996 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -132.82 131.29 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.038 -0.528 . . . . 3.09 110.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -105.23 142.61 34.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.833 0.349 . . . . 1.83 110.213 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.63 173.23 11.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.126 -0.488 . . . . 1.21 110.522 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.1 m -81.27 140.63 49.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.83 110.024 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -63.56 -7.92 13.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.366 2.711 . . . . 0.84 114.66 -173.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -114.23 10.42 17.24 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.807 -0.558 . . . . 1.13 111.378 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.51 171.32 13.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.691 -0.485 . . . . 1.37 109.691 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 p -109.08 147.99 31.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.024 0.44 . . . . 1.1 111.286 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 130' ' ' LEU . 41.8 mm -55.85 -24.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.414 -0.812 . . . . 1.14 110.532 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.22 -39.48 79.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 1.47 110.452 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 51.6 mm-40 -71.46 -34.11 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.993 0.425 . . . . 0.7 110.121 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.4 HD13 HD12 ' A' ' 98' ' ' ILE . 38.1 mt -67.92 -45.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.98 110.041 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.57 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 81.8 mttt -64.28 -47.48 79.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.639 -0.71 . . . . 1.69 110.864 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -61.91 -23.69 66.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.015 0.436 . . . . 0.83 110.6 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.604 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 5.8 t60 -79.82 -35.91 37.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.716 -0.674 . . . . 2.1 109.457 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 mt -71.41 -31.93 67.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.632 -0.507 . . . . 1.05 109.632 176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 114' ' ' ILE . 74.0 mt -63.5 -45.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.172 0.51 . . . . 1.07 110.144 171.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.7 p -71.06 -27.09 63.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.761 -0.654 . . . . 1.14 111.754 -173.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.6 pt-20 -95.81 18.01 14.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.897 0.379 . . . . 0.42 110.845 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 56.33 37.34 28.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.642 -0.708 . . . . 1.86 112.499 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.415 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.5 mmtp -99.96 -11.64 20.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.066 0.46 . . . . 1.89 109.934 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.94 167.71 26.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.419 -0.81 . . . . 0.97 110.671 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.4 m -92.05 -56.54 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 1.26 111.088 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -135.27 165.85 24.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.277 -0.638 . . . . 2.21 109.277 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 28.5 pt -57.57 -46.3 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.023 0.44 . . . . 0.94 111.354 -176.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 114' ' ' ILE . 47.9 t -74.22 -5.98 45.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.678 0.621 . . . . 1.86 112.678 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.39 -6.66 59.53 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.596 -0.89 . . . . 0.8 108.596 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 62.0 mt -105.6 119.33 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 113.952 -1.476 . . . . 1.04 109.664 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.43 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -111.43 113.07 25.26 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.399 -0.593 . . . . 1.68 109.399 175.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.43 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 33.9 mt -100.75 130.32 46.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.982 -0.377 . . . . 1.45 109.982 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.22 131.35 48.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.928 -0.397 . . . . 1.05 109.928 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -124.78 111.46 15.56 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.508 -0.552 . . . . 2.02 109.508 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp 60.93 40.85 15.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.641 -0.709 . . . . 2.95 110.714 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.0 4.12 88.54 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.844 -0.617 . . . . 0.47 112.849 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -93.86 122.12 36.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 2.59 110.921 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.408 HG11 ' HZ3' ' A' ' 118' ' ' LYS . 72.8 t -70.12 109.14 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.752 -0.658 . . . . 1.05 110.564 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 21.6 mt -84.88 132.12 34.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.345 -0.613 . . . . 1.04 109.345 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -85.96 170.26 12.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.172 -0.467 . . . . 2.21 111.395 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.433 ' HA ' ' HZ3' ' A' ' 102' ' ' LYS . 10.7 p-10 -51.22 -44.94 61.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.991 -0.55 . . . . 0.45 111.776 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -114.57 29.6 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.028 0.751 . . . . 2.07 113.028 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.448 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.38 129.27 39.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 1.11 110.447 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.429 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 60.1 m-85 -75.12 138.73 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.428 -0.351 . . . . 0.57 110.783 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.15 -15.49 63.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.316 -0.402 . . . . 1.11 110.975 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 p -68.2 -26.42 65.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.257 -0.429 . . . . 1.81 111.027 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.72 -18.42 26.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.391 0.615 . . . . 1.93 110.05 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 37.1 mt -87.64 -53.89 4.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.302 -0.863 . . . . 1.22 110.306 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 54.98 67.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.921 0.763 . . . . 3.45 110.922 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' A' ' 142' ' ' SER . 42.3 t -73.83 101.47 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.52 -0.763 . . . . 1.22 109.896 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 29.7 p -91.64 164.81 22.73 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.654 -0.703 . . . . 1.52 110.312 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -47.38 -43.82 25.97 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.781 2.32 . . . . 1.06 113.288 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.74 -19.42 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.592 -0.276 . . . . 1.42 111.685 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -118.35 31.17 6.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.614 -0.266 . . . . 1.23 111.022 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.44 ' HA ' ' CG1' ' A' ' 137' ' ' VAL . 40.2 m -85.16 -4.55 59.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.111 -0.236 . . . . 1.57 111.628 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.2 m -83.1 106.35 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.023 0.44 . . . . 1.17 110.184 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 10.5 mm -106.5 136.53 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.978 -0.555 . . . . 1.1 110.091 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.7 m -88.99 114.23 25.38 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.426 -0.583 . . . . 1.06 109.426 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.493 HG21 HG13 ' A' ' 148' ' ' ILE . 11.3 p -112.53 113.93 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 122.279 1.038 . . . . 1.1 111.056 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 76.6 mtp -101.87 100.98 11.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.881 -1.054 . . . . 2.16 109.134 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.566 ' O ' ' HD2' ' A' ' 149' ' ' LYS . 39.8 mt -119.53 133.04 67.62 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 CA-C-N 116.476 -0.329 . . . . 0.98 110.18 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.566 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 11.7 mmmm -125.79 86.69 57.16 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 109.198 -0.667 . . . . 1.73 109.198 175.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -82.94 166.32 14.89 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.158 2.572 . . . . 0.78 111.514 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 17.2 m120 66.14 168.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.75 0.656 . . . . 3.79 110.082 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 74.6 mt 59.2 44.53 15.57 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.345 0.593 . . . . 6.02 109.406 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -68.57 94.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.05 -0.977 . . . . 5.3 111.406 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -98.51 -11.7 22.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.608 -0.724 . . . . 8.73 110.254 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -117.02 96.12 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.071 -0.513 . . . . 8.61 110.573 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -76.94 119.82 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 9.6 110.013 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -111.48 151.94 28.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.362 -0.381 . . . . 11.67 110.344 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 69.06 -178.56 0.22 Allowed 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.779 0.674 . . . . 14.29 110.674 -174.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.0 t60 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.389 -0.815 . . . . 16.06 109.762 -178.689 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.148 -0.316 . . . . 4.2 110.148 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.8 t -93.99 81.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.585 0.707 . . . . 1.95 109.429 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -99.31 102.89 14.65 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.156 -0.929 . . . . 3.9 110.118 -176.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.63 115.06 27.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.809 0.338 . . . . 1.28 111.011 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.2 m -96.52 93.42 6.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.521 -0.548 . . . . 1.0 109.521 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 119' ' ' LEU . 13.9 mt -80.28 98.2 7.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.697 -0.683 . . . . 1.43 109.8 -175.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -89.72 112.85 24.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.891 -0.595 . . . . 1.81 110.385 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.3 tttt -93.48 111.06 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 1.14 110.464 -175.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 pt -111.02 33.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.085 -0.507 . . . . 1.31 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -114.68 -91.77 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.936 -0.305 . . . . 1.81 111.647 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.04 136.98 4.68 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.359 -0.237 . . . . 1.22 110.359 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.59 10.43 40.0 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.55 -1.438 . . . . 1.17 112.146 -3.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 75.79 150.37 0.11 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.998 -1.001 . . . . 2.51 112.502 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.476 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 1.5 p90 -178.71 -177.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.929 -1.032 . . . . 0.38 109.181 176.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -140.86 113.45 8.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.01 -0.367 . . . . 1.84 110.01 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 pt -116.68 132.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 1.05 110.853 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.06 116.16 31.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.03 0.443 . . . . 1.53 109.895 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -128.16 131.1 48.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 3.09 110.516 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -103.75 120.65 41.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.115 -0.493 . . . . 1.83 110.07 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.5 m-85 -124.41 155.1 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 1.21 110.788 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -66.12 141.27 97.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.83 110.658 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.96 -7.28 9.31 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.303 2.669 . . . . 0.84 113.966 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -112.88 7.46 18.34 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.662 -0.415 . . . . 1.13 111.589 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.85 169.99 16.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.026 -0.361 . . . . 1.37 110.026 176.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.6 p -107.06 156.3 18.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.009 0.433 . . . . 1.1 111.121 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.422 HG22 HD12 ' A' ' 119' ' ' LEU . 38.7 mm -59.28 -25.69 31.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.685 -0.688 . . . . 1.14 109.988 172.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.38 -39.83 84.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.705 -0.68 . . . . 1.47 110.536 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -61.73 -43.5 98.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.956 -0.565 . . . . 0.7 110.028 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 41.5 mt -65.15 -42.72 94.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.279 -0.873 . . . . 0.98 110.357 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.497 ' HE3' ' O ' ' A' ' 114' ' ' ILE . 37.5 mttp -63.25 -50.04 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.631 -0.713 . . . . 1.69 111.522 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -59.9 -25.81 65.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.287 0.565 . . . . 0.83 110.479 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 19.6 t60 -77.5 -40.24 43.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.419 -0.809 . . . . 2.1 109.605 -176.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 39.4 mt -69.98 -32.78 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.015 -0.539 . . . . 1.05 110.204 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 102' ' ' LYS . 68.4 mt -64.25 -42.74 96.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.479 0.657 . . . . 1.07 109.531 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -63.72 -40.07 95.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.8 -1.091 . . . . 1.14 111.411 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.7 pt-20 -94.76 21.02 7.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.793 0.33 . . . . 0.42 111.75 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 55.15 44.92 27.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.644 -0.707 . . . . 1.86 112.214 174.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 41.9 mmtm -107.01 -8.39 16.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.952 -0.567 . . . . 1.89 110.147 177.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -152.0 178.92 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.97 110.954 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 t -103.48 -53.32 2.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 1.26 110.019 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.411 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 44.8 m80 -136.01 171.3 14.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.879 -0.415 . . . . 2.21 109.879 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.497 ' O ' ' HE3' ' A' ' 102' ' ' LYS . 17.7 pt -59.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 120.594 0.235 . . . . 0.94 111.574 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.9 t -74.08 -7.34 52.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.021 0.378 . . . . 1.86 112.021 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 39.2 mm-40 -80.9 3.74 21.73 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.781 0.801 . . . . 0.8 109.495 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 60.7 mt -114.05 106.11 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 113.939 -1.482 . . . . 1.04 109.504 177.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.433 ' NZ ' HG11 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -98.06 112.84 24.64 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.21 -0.663 . . . . 1.68 109.21 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.422 HD12 HG22 ' A' ' 98' ' ' ILE . 19.3 mt -104.1 129.33 51.79 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.809 0.338 . . . . 1.45 110.235 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 mp -127.89 134.58 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 1.05 109.62 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.8 tt -113.89 102.58 10.35 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.59 -0.893 . . . . 2.02 108.59 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 62.47 32.62 16.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.668 0.747 . . . . 2.95 109.834 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.79 -18.83 56.69 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.541 -0.754 . . . . 0.47 112.579 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -73.47 124.18 25.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.579 0.228 . . . . 2.59 110.742 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.433 HG11 ' NZ ' ' A' ' 118' ' ' LYS . 55.4 t -69.16 122.04 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 1.05 111.091 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.408 HD22 HD23 ' A' ' 135' ' ' LEU . 19.2 mt -96.95 139.72 32.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.704 -0.85 . . . . 1.04 108.704 173.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -85.94 178.07 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.992 -0.373 . . . . 2.21 109.992 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.497 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 5.9 p-10 -61.32 -44.18 97.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.74 -0.209 . . . . 0.45 111.516 -177.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -115.13 27.98 9.01 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.331 0.493 . . . . 2.07 112.331 -174.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.92 132.03 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.146 -0.316 . . . . 1.11 110.146 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -78.35 138.67 38.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.412 . . . . 0.57 110.666 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.01 -15.34 63.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.587 . . . . 1.11 111.588 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 p -69.71 -24.98 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.077 0.465 . . . . 1.81 110.814 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -91.07 -20.86 21.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 1.93 109.587 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.408 HD23 HD22 ' A' ' 126' ' ' LEU . 35.5 mt -83.72 -58.05 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.358 -0.837 . . . . 1.22 110.87 -177.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.67 72.43 0.53 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.712 0.633 . . . . 3.45 111.573 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 37.9 t -79.94 103.07 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 1.22 109.779 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.7 p -88.71 161.96 40.2 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.999 -0.546 . . . . 1.52 110.818 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.23 -46.72 21.88 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.625 2.217 . . . . 1.06 113.078 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.45 -6.79 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 1.42 111.957 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -126.5 31.6 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.216 0.531 . . . . 1.23 109.773 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.9 p -79.6 -17.35 54.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.566 -0.743 . . . . 1.57 111.663 -173.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 43.5 m -73.18 104.93 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 1.17 110.306 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 35.1 mm -106.19 143.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.784 -0.643 . . . . 1.1 109.843 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 m -95.19 119.16 33.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.684 -0.487 . . . . 1.06 109.684 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 7.2 p -119.68 121.75 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-O 122.115 0.96 . . . . 1.1 110.867 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 55.9 mtt -105.36 101.14 10.7 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.014 -0.993 . . . . 2.16 108.875 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.505 ' O ' ' HD2' ' A' ' 149' ' ' LYS . 45.6 mt -119.64 137.65 52.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.33 -0.395 . . . . 0.98 110.397 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.505 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.9 mmmm -125.43 104.72 28.11 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.213 -0.662 . . . . 1.73 109.213 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -68.92 85.93 0.48 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.753 2.302 . . . . 0.78 112.24 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -68.27 82.39 0.24 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.645 . . . . 3.79 109.436 172.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.7 mt -148.28 146.37 28.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.234 -0.894 . . . . 6.02 109.536 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.82 47.16 1.21 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.103 0.478 . . . . 5.3 110.858 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -71.99 -17.83 62.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.92 0.391 . . . . 8.73 110.965 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -95.27 92.85 6.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.318 -0.401 . . . . 8.61 110.142 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -102.39 159.71 15.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.221 -0.445 . . . . 9.6 110.22 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -139.87 23.97 2.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.237 0.541 . . . . 11.67 109.749 174.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 62.95 78.86 0.28 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.019 -0.991 . . . . 14.29 111.311 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.405 -0.807 . . . . 16.06 109.901 178.008 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.2 ptp . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.809 0.338 . . . . 4.2 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.9 t -88.24 78.25 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.455 0.645 . . . . 1.95 110.104 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -97.88 110.95 23.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.52 -0.764 . . . . 3.9 109.685 177.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.53 115.08 27.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.092 -0.504 . . . . 1.28 110.188 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 m -90.56 92.56 8.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.64 104.62 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.797 -0.638 . . . . 1.43 109.784 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -98.52 114.1 26.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.967 0.413 . . . . 1.81 110.42 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.462 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 84.9 tttt -98.26 105.53 17.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.663 -0.699 . . . . 1.14 110.946 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.25 40.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.598 -0.728 . . . . 1.31 110.731 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.469 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.8 mm-40 -116.49 -88.13 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.834 -0.621 . . . . 1.81 111.684 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.59 133.75 1.73 Allowed Pre-proline 0 N--CA 1.465 0.305 0 CA-C-O 120.342 0.115 . . . . 1.22 110.703 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.1 12.91 26.33 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 124.212 -1.161 . . . . 1.17 112.051 -1.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt 74.91 147.98 0.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.356 -0.838 . . . . 2.51 112.12 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.2 p90 -179.01 173.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.266 -0.879 . . . . 0.38 109.267 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 p -132.34 121.16 23.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.838 0.351 . . . . 1.84 110.362 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 pt -127.25 158.47 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 1.05 110.807 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -130.33 131.85 45.57 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.769 -0.826 . . . . 1.53 108.769 169.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -130.19 135.27 47.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.338 -0.392 . . . . 3.09 110.647 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.95 123.67 40.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.981 -0.554 . . . . 1.83 110.88 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CE2' HG12 ' A' ' 101' ' ' ILE . 38.5 m-85 -135.88 167.06 21.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 1.21 110.661 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -93.23 147.36 33.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.91 -0.587 . . . . 0.83 110.548 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.82 -10.06 21.13 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.22 2.613 . . . . 0.84 114.771 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -114.0 10.38 17.54 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.686 -0.634 . . . . 1.13 111.087 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.3 168.47 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.197 -0.668 . . . . 1.37 109.197 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -108.63 148.05 30.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.128 0.489 . . . . 1.1 111.075 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.537 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 28.1 mm -55.85 -27.72 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.306 -0.861 . . . . 1.14 110.538 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.64 -36.99 74.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 1.47 110.432 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -63.79 -40.8 97.52 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.562 -0.532 . . . . 0.7 109.562 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.563 HG12 ' CE2' ' A' ' 92' ' ' PHE . 22.9 mt -67.86 -42.86 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 0.98 110.267 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 33.2 mmtp -59.13 -55.36 36.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.46 -0.791 . . . . 1.69 110.86 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -63.11 -21.41 66.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.83 110.751 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.669 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 58.1 t-80 -73.45 -42.63 61.73 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.81 -0.811 . . . . 2.1 108.81 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 81.2 mt -69.37 -33.92 73.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 1.05 110.593 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.484 HD13 ' N ' ' A' ' 114' ' ' ILE . 67.0 mt -61.7 -51.31 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.31 0.576 . . . . 1.07 110.335 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 p -69.55 -24.11 63.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 1.14 111.87 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.669 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.8 pt-20 -96.82 17.64 16.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.787 0.327 . . . . 0.42 111.178 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 56.68 39.2 29.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.806 -0.634 . . . . 1.86 112.138 174.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.0 mmtp -105.16 -7.2 19.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.506 0.669 . . . . 1.89 109.349 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.68 178.74 8.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.9 -1.045 . . . . 0.97 110.385 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.493 ' HB3' ' HG3' ' A' ' 116' ' ' GLU . 40.1 t -108.86 -51.82 2.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.062 -0.517 . . . . 1.26 111.133 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.433 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 14.2 m80 -127.54 167.91 15.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.621 -0.511 . . . . 2.21 109.621 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.499 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 29.8 pt -62.08 -33.26 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.445 0.641 . . . . 0.94 110.185 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.8 p -85.63 -6.0 59.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.302 -0.863 . . . . 1.86 112.673 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.493 ' HG3' ' HB3' ' A' ' 112' ' ' SER . 46.7 mm-40 -82.06 -2.81 53.06 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.828 -0.804 . . . . 0.8 108.828 174.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.466 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 33.1 mt -116.41 108.4 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 114.29 -1.323 . . . . 1.04 110.049 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -99.2 112.5 24.64 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.171 -0.677 . . . . 1.68 109.171 175.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.446 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 39.7 mt -98.28 125.3 43.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.66 -0.496 . . . . 1.45 109.66 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 3.7 mp -127.3 137.17 52.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.904 -0.406 . . . . 1.05 109.904 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 35.9 tp -114.72 100.77 8.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.295 -0.412 . . . . 2.02 109.969 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 43.2 tttp 58.44 38.04 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.72 -0.673 . . . . 2.95 110.472 176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.71 -15.54 59.6 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.848 -0.615 . . . . 0.47 112.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 55.7 tptt -81.76 121.11 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 2.59 110.914 -178.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 87.2 t -74.91 112.2 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 1.05 110.757 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.462 HD21 HD22 ' A' ' 135' ' ' LEU . 17.1 mt -90.25 131.11 36.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 1.04 109.197 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -85.9 170.76 12.05 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.958 -0.297 . . . . 2.21 111.394 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.469 ' HA ' ' HZ1' ' A' ' 102' ' ' LYS . 1.3 p30 -49.15 -50.78 35.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.45 112.516 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -114.92 30.51 7.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.021 0.438 . . . . 2.07 111.884 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.426 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -64.4 133.06 51.81 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.966 -0.459 . . . . 1.11 109.931 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.02 137.73 37.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 0.57 110.59 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.74 -15.51 63.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 1.11 111.235 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.3 p -69.88 -29.27 66.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 1.81 110.778 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -82.73 -27.6 31.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.419 0.628 . . . . 1.93 109.596 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.462 HD22 HD21 ' A' ' 126' ' ' LEU . 31.4 mt -81.78 -55.56 4.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.29 -0.868 . . . . 1.22 110.703 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.5 tptp 56.32 69.79 0.71 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.356 -0.838 . . . . 3.45 110.473 -176.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.5 t -73.96 102.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.446 -0.797 . . . . 1.22 109.843 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 22.9 p -85.35 161.79 50.58 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.401 -0.818 . . . . 1.52 110.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -46.96 -46.37 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.816 2.344 . . . . 1.06 113.012 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.15 -20.53 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 1.42 111.688 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -115.93 30.06 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.998 0.428 . . . . 1.23 110.486 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.7 p -79.59 -18.74 50.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.093 -0.503 . . . . 1.57 111.895 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.8 m -76.63 113.69 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 1.17 110.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 27.4 mm -111.06 138.99 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 1.1 110.444 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.8 m -86.96 107.59 18.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.54 -0.541 . . . . 1.06 109.54 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.521 HG23 HG13 ' A' ' 148' ' ' ILE . 13.2 p -108.62 112.03 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.16 0.981 . . . . 1.1 111.091 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 81.9 mtp -99.05 102.38 14.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.028 -0.987 . . . . 2.16 109.585 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.521 HG13 HG23 ' A' ' 146' ' ' VAL . 72.1 mt -119.63 139.09 48.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.333 -0.394 . . . . 0.98 111.04 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.469 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.6 mmtp -135.12 108.37 10.46 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 108.266 -1.013 . . . . 1.73 108.266 170.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 151' ' ' ASN . 31.4 Cg_exo -58.63 100.91 0.12 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.532 2.155 . . . . 0.78 111.97 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 150' ' ' PRO . 89.0 m-20 70.48 97.33 0.07 Allowed 'General case' 0 C--O 1.234 0.269 0 O-C-N 124.052 0.845 . . . . 3.79 110.64 -176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.8 -28.58 66.11 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.196 0.522 . . . . 6.02 109.875 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.77 94.52 3.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.237 -0.892 . . . . 5.3 109.732 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -112.42 127.92 56.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.045 -0.525 . . . . 8.73 110.771 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 18.9 t60 64.04 82.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.446 -0.797 . . . . 8.61 110.978 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -124.28 104.79 9.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 9.6 110.641 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -129.13 113.27 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.24 -0.437 . . . . 11.67 110.25 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -84.71 -19.92 32.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.083 0.468 . . . . 14.29 110.094 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.626 -0.702 . . . . 16.06 109.718 175.66 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.7 ttt . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.663 0.268 . . . . 4.2 110.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 18.1 t -104.94 102.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 1.95 109.857 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -121.59 100.31 6.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.046 -0.525 . . . . 3.9 110.241 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.87 118.88 28.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.931 0.396 . . . . 1.28 110.955 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.9 m -103.12 93.25 4.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.1 102.29 10.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.669 -0.696 . . . . 1.43 109.867 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -93.15 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.872 0.368 . . . . 1.81 110.447 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 85.5 tttt -99.8 110.26 22.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 1.14 110.61 -176.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 pt -113.21 42.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.425 0.631 . . . . 1.31 110.685 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.527 ' HB3' ' CD ' ' A' ' 149' ' ' LYS . 26.4 mm-40 -116.19 -95.2 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 1.81 111.719 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.57 136.55 3.58 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 110.627 -0.138 . . . . 1.22 110.627 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.4 16.58 12.94 Favored 'Cis proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.624 -1.407 . . . . 1.17 112.823 -6.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 74.65 154.47 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.522 0.729 . . . . 2.51 112.387 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.562 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 0.4 OUTLIER 179.84 -177.25 0.35 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.664 0.786 . . . . 0.38 109.79 174.271 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.4 m -141.11 124.36 16.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.5 -0.556 . . . . 1.84 109.5 171.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.32 138.88 53.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 1.05 110.9 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.32 117.1 33.19 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.129 0.49 . . . . 1.53 109.73 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . 1.5 m-70 -127.31 121.19 30.4 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.851 -0.613 . . . . 3.09 109.914 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.18 135.23 42.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.204 -0.453 . . . . 1.83 110.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' O ' ' HB ' ' A' ' 74' ' ' VAL . 72.2 m-85 -142.16 163.91 31.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.111 -0.495 . . . . 1.21 110.426 -178.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -78.85 150.28 75.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.778 -0.646 . . . . 0.83 109.763 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.3 -4.93 11.45 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.954 2.436 . . . . 0.84 113.76 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.1 m -105.23 5.76 32.36 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.677 -0.409 . . . . 1.13 110.98 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.42 173.95 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.272 -0.64 . . . . 1.37 109.272 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.488 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 57.3 p -126.41 151.28 47.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.49 . . . . 1.1 110.847 -177.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 119' ' ' LEU . 47.0 mm -60.78 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.425 -0.807 . . . . 1.14 110.913 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.96 -36.92 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.014 -0.365 . . . . 1.47 110.014 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.488 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 27.7 mm-40 -70.41 -33.05 70.92 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.819 -0.353 . . . . 0.7 110.316 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 mt -69.91 -42.62 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.218 0.532 . . . . 0.98 109.877 176.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.549 ' HD3' ' HB ' ' A' ' 114' ' ' ILE . 39.9 mttp -62.1 -50.62 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 1.69 110.937 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -58.22 -29.73 65.94 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.266 0.555 . . . . 0.83 110.423 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.659 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 51.9 t-80 -71.82 -45.97 59.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.38 -0.827 . . . . 2.1 109.172 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.25 -35.42 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.604 . . . . 1.05 110.162 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 114' ' ' ILE . 73.7 mt -60.97 -50.1 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 1.07 110.2 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.2 p -66.41 -22.6 66.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.666 -0.697 . . . . 1.14 111.598 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -104.33 22.97 13.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.208 -0.308 . . . . 0.42 111.353 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.96 37.23 24.63 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.618 -0.719 . . . . 1.86 112.409 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 43.7 mmtm -103.08 -10.03 19.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.284 -0.416 . . . . 1.89 110.783 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.53 170.93 18.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.97 111.413 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 m -88.37 -61.19 1.77 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.813 -0.63 . . . . 1.26 110.938 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -133.78 171.58 13.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.955 -0.387 . . . . 2.21 109.955 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.549 ' HB ' ' HD3' ' A' ' 102' ' ' LYS . 23.1 pt -57.45 -51.65 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 112.088 0.403 . . . . 0.94 112.088 -172.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.6 t -73.41 -8.3 55.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.076 0.398 . . . . 1.86 112.076 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.15 -4.58 42.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.571 0.7 . . . . 0.8 109.513 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.6 mt -109.58 104.88 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.023 -1.444 . . . . 1.04 109.657 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.11 113.23 25.05 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.24 -0.652 . . . . 1.68 109.24 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.402 HD11 HG21 ' A' ' 98' ' ' ILE . 30.3 mt -102.5 131.94 48.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.718 0.294 . . . . 1.45 110.347 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.03 132.13 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 1.05 110.133 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.0 tp -115.2 104.88 12.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.129 -0.487 . . . . 2.02 110.263 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt 60.7 41.86 14.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.475 0.655 . . . . 2.95 110.335 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.44 69.8 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.47 112.814 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -90.43 124.15 34.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 2.59 111.213 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.3 117.36 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 1.05 111.005 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.407 HD21 HD23 ' A' ' 135' ' ' LEU . 46.2 mt -89.56 142.32 27.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.02 -0.734 . . . . 1.04 109.02 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -88.7 176.34 7.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.003 -0.279 . . . . 2.21 111.145 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.421 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 9.5 p-10 -61.11 -50.7 72.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.273 -0.421 . . . . 0.45 111.979 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -115.05 29.18 8.21 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.595 0.591 . . . . 2.07 112.595 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 134.87 54.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.796 0.331 . . . . 1.11 110.45 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -77.48 141.31 39.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.57 110.202 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.414 HD22 HG11 ' A' ' 74' ' ' VAL . 10.5 mp -68.07 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 1.11 111.538 -177.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 m -64.11 -39.22 93.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.22 0.533 . . . . 1.81 110.633 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.37 -30.59 53.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 1.93 109.981 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.407 HD23 HD21 ' A' ' 126' ' ' LEU . 25.4 mt -75.15 -55.52 5.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.86 . . . . 1.22 110.785 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 61.3 tttp 57.44 72.74 0.5 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.752 -0.658 . . . . 3.45 111.052 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 41.4 t -84.66 101.66 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 1.22 110.133 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 139' ' ' PRO . 40.2 p -91.76 167.53 15.17 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 1.52 109.975 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 138' ' ' THR . 80.7 Cg_exo -48.41 -35.12 27.28 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.126 1.884 . . . . 1.06 112.813 174.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.09 -28.25 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 1.42 111.594 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.424 ' O ' HG13 ' A' ' 137' ' ' VAL . 47.4 m-80 -113.79 27.69 9.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.258 -0.428 . . . . 1.23 110.075 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.2 p -75.05 -21.17 59.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.826 -0.625 . . . . 1.57 111.811 -172.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.4 m -72.99 110.7 7.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.131 0.491 . . . . 1.17 110.52 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 24.1 mm -113.27 137.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.946 -0.57 . . . . 1.1 109.849 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.3 m -92.51 113.79 26.17 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.414 -0.587 . . . . 1.06 109.414 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 14.2 p -113.82 111.5 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 122.213 1.006 . . . . 1.1 110.906 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 15.4 mmt -98.73 101.46 12.88 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.988 -1.005 . . . . 2.16 109.22 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.532 ' O ' ' HD2' ' A' ' 149' ' ' LYS . 55.0 mt -116.95 134.4 60.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.444 -0.344 . . . . 0.98 110.395 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.532 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 10.7 mmmm -128.01 91.03 45.88 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.791 -0.363 . . . . 1.73 110.061 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.0 131.83 45.89 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.78 111.577 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -84.08 57.98 4.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.36 0.6 . . . . 3.79 110.399 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 90.2 mt -91.62 102.76 15.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.515 -0.766 . . . . 6.02 109.507 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -112.55 40.7 2.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.128 -0.487 . . . . 5.3 110.851 -175.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -75.76 -58.32 3.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.114 -0.328 . . . . 8.73 110.114 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -97.94 41.05 1.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.533 0.683 . . . . 8.61 109.826 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -59.15 132.29 53.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.988 -1.006 . . . . 9.6 111.43 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -147.98 102.15 3.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.5 0.667 . . . . 11.67 110.471 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -137.19 173.01 12.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.562 -0.745 . . . . 14.29 109.97 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 . . . . . 0 C--O 1.245 0.835 0 CA-C-N 116.261 -0.427 . . . . 16.06 110.488 178.825 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.699 0.285 . . . . 4.2 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.6 t -82.54 85.91 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.25 0.548 . . . . 1.95 111.282 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -114.54 121.33 43.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.928 -0.578 . . . . 3.9 110.16 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mp -105.45 115.29 30.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.037 0.446 . . . . 1.28 110.473 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -89.02 96.96 10.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 88' ' ' ILE . 53.1 mt -79.75 96.62 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.639 0.733 . . . . 1.43 109.516 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -94.77 102.5 14.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.814 -1.085 . . . . 1.81 109.955 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 148' ' ' ILE . 85.8 tttt -91.42 105.26 17.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 1.14 110.745 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.2 pt -106.74 27.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.607 -0.724 . . . . 1.31 110.743 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.462 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.3 mm-40 -102.38 -96.28 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.81 112.21 -175.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.54 133.26 5.43 Favored Pre-proline 0 C--N 1.332 -0.172 0 O-C-N 122.375 -0.203 . . . . 1.22 110.829 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -83.71 18.48 22.51 Favored 'Cis proline' 0 C--N 1.346 0.447 0 C-N-CA 123.642 -1.399 . . . . 1.17 112.273 -2.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 74.7 143.13 0.07 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.189 -0.914 . . . . 2.51 112.803 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.437 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.7 p90 -170.11 175.62 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.721 -1.127 . . . . 0.38 108.32 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -144.2 116.1 8.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.027 0.441 . . . . 1.84 109.898 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.426 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 22.3 pt -119.41 159.41 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.856 -0.611 . . . . 1.05 110.772 -175.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -123.3 116.54 23.51 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.361 -0.607 . . . . 1.53 109.361 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -134.88 122.86 22.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.787 0.327 . . . . 3.09 110.729 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -95.25 145.39 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.857 0.36 . . . . 1.83 110.035 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -141.14 162.12 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 1.21 110.012 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -74.33 144.36 81.22 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 0.83 110.384 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.9 -3.54 10.7 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.896 2.397 . . . . 0.84 113.149 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -113.81 9.9 17.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.031 0.443 . . . . 1.13 110.526 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -82.57 172.46 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.711 . . . . 1.37 109.079 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.557 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 24.0 p -116.11 151.8 34.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.792 0.33 . . . . 1.1 110.965 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.7 mm -57.18 -29.4 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.803 -0.635 . . . . 1.14 110.364 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.31 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 1.47 110.403 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.557 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 32.2 mm-40 -67.49 -37.63 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.764 -0.458 . . . . 0.7 109.764 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.98 110.18 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.624 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 76.6 mttt -65.31 -47.96 74.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.574 -0.739 . . . . 1.69 110.797 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -59.93 -25.35 65.09 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.369 0.604 . . . . 0.83 110.287 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.9 t60 -75.61 -41.29 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.145 -0.934 . . . . 2.1 109.419 -174.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.0 mt -68.92 -34.11 74.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.061 -0.518 . . . . 1.05 109.913 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 102' ' ' LYS . 75.7 mt -61.38 -47.72 92.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 1.07 110.257 173.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.7 p -65.85 -24.3 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.625 . . . . 1.14 111.877 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.7 pt-20 -106.8 20.42 19.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.723 -0.391 . . . . 0.42 111.474 178.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.51 41.45 28.67 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.767 -0.651 . . . . 1.86 112.29 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.417 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.4 mmtm -100.65 -11.0 20.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.925 -0.579 . . . . 1.89 109.75 174.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.89 -178.15 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.444 -0.798 . . . . 0.97 110.721 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.6 m -103.94 -59.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.262 -0.426 . . . . 1.26 111.642 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -133.16 173.72 11.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.763 -0.199 . . . . 2.21 110.542 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.624 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 26.2 pt -65.44 -50.64 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.307 0.484 . . . . 0.94 112.307 -170.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.4 t -70.61 -13.8 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.064 -0.398 . . . . 1.86 111.475 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 9.4 mm-40 -73.49 -5.94 43.28 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.505 0.669 . . . . 0.8 109.464 174.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.9 mt -116.02 102.18 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 114.309 -1.314 . . . . 1.04 109.456 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.99 112.95 24.93 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.372 -0.603 . . . . 1.68 109.372 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.38 127.85 43.69 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.132 -0.322 . . . . 1.45 110.132 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 5.0 mp -124.33 134.68 53.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.98 -0.378 . . . . 1.05 109.98 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.68 101.49 9.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.8 -0.815 . . . . 2.02 108.8 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.4 tttp 61.4 36.01 17.55 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.719 0.771 . . . . 2.95 109.653 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.43 -11.79 71.13 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.585 -0.734 . . . . 0.47 112.799 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 4.9 tppp? -74.44 119.63 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 2.59 110.85 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -70.86 112.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 1.05 110.616 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.414 HD22 HD22 ' A' ' 135' ' ' LEU . 46.2 mt -88.88 132.35 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.417 -0.586 . . . . 1.04 109.417 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -77.15 162.15 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.149 -0.221 . . . . 2.21 111.251 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -51.25 -44.78 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.35 0.406 . . . . 0.45 111.821 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -114.81 28.87 8.42 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.176 0.806 . . . . 2.07 113.176 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 133.24 46.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.622 0.249 . . . . 1.11 110.373 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.452 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 57.1 m-85 -76.84 140.91 40.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.57 110.586 177.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.25 -15.21 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.11 111.207 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 t -69.62 -31.25 69.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.186 0.517 . . . . 1.81 109.794 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -82.6 -17.95 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.758 -0.655 . . . . 1.93 109.9 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 47.5 mt -92.66 -56.49 2.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.539 -0.755 . . . . 1.22 110.84 -176.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.5 mttp 55.01 76.14 0.27 Allowed 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.734 0.646 . . . . 3.45 110.541 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.47 100.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.303 0.573 . . . . 1.22 110.069 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 33.9 p -68.97 139.11 90.35 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.035 -0.984 . . . . 1.52 110.447 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -53.8 -27.9 45.43 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.179 2.586 . . . . 1.06 113.141 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.14 -22.67 59.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 1.42 111.146 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -125.54 45.21 2.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.254 -0.647 . . . . 1.23 109.254 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p -86.66 -8.66 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.387 -0.824 . . . . 1.57 111.437 -174.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.8 m -80.89 99.04 8.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.196 0.522 . . . . 1.17 109.852 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.0 mm -89.13 131.29 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.452 -0.794 . . . . 1.1 109.603 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.0 m -85.93 104.62 15.74 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.877 -0.786 . . . . 1.06 108.877 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 146' ' ' VAL . 8.8 p -105.23 107.74 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 122.45 1.119 . . . . 1.1 110.843 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 57.5 mtt -88.16 102.82 15.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.851 -1.068 . . . . 2.16 109.575 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' ' 116' ' ' GLU . 68.5 mt -121.23 135.22 62.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.382 -0.372 . . . . 0.98 111.142 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.462 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.3 mmtp -132.63 97.19 17.65 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 1.73 109.802 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.77 156.33 66.46 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.539 2.159 . . . . 0.78 111.767 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -81.61 15.59 2.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 3.79 110.468 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.1 tp -75.31 72.02 2.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.871 -0.604 . . . . 6.02 110.266 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -97.52 -28.35 14.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.907 -0.588 . . . . 5.3 109.89 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -62.19 -41.04 97.97 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.163 -0.471 . . . . 8.73 110.848 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 43.3 m80 50.88 56.95 7.2 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.392 0.432 . . . . 8.61 110.721 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -121.08 55.42 1.06 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.081 0.467 . . . . 9.6 111.015 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -124.91 74.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.937 -0.574 . . . . 11.67 110.283 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -100.6 11.82 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.155 -0.475 . . . . 14.29 111.243 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.265 -0.874 . . . . 16.06 109.744 178.885 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.806 0.336 . . . . 4.2 111.085 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 p -131.97 103.39 6.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.553 0.692 . . . . 1.95 110.744 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 91' ' ' ASP . 64.4 m80 -92.81 120.31 33.05 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.607 -0.724 . . . . 3.9 110.066 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.37 115.02 27.72 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.05 0.453 . . . . 1.28 110.107 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.4 m -83.31 93.57 7.75 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.268 -0.642 . . . . 1.0 109.268 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 88' ' ' ILE . 17.8 mt -79.5 96.83 6.21 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.874 -0.787 . . . . 1.43 108.874 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' C ' HG12 ' A' ' 146' ' ' VAL . 83.6 tttt -95.88 113.54 25.17 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.377 -0.828 . . . . 1.81 110.522 -173.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 88.6 tttt -97.38 111.32 23.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.897 -0.592 . . . . 1.14 110.591 -175.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 38.0 pt -113.26 18.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.875 -0.602 . . . . 1.31 111.442 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 15.0 mm-40 -98.36 -90.85 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.88 0.326 . . . . 1.81 111.88 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.56 139.09 3.05 Favored Pre-proline 0 N--CA 1.465 0.298 0 C-N-CA 121.482 -0.087 . . . . 1.22 111.146 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.39 15.11 12.42 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 124.031 -1.237 . . . . 1.17 112.612 -7.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 75.74 154.73 0.16 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.503 0.721 . . . . 2.51 112.566 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -175.21 -179.04 1.26 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.431 -0.804 . . . . 0.38 109.385 173.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -145.79 104.85 3.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.884 0.373 . . . . 1.84 110.198 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.432 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 19.6 pt -116.42 158.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.185 -0.461 . . . . 1.05 110.83 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -130.81 121.31 25.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.788 -0.449 . . . . 1.53 109.788 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -127.85 144.57 51.09 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.896 0.379 . . . . 3.09 110.939 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.434 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . 17.4 t70 -100.58 123.8 45.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.977 -0.556 . . . . 1.83 110.791 -178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CD2' HG12 ' A' ' 101' ' ' ILE . 88.9 m-85 -132.94 153.57 51.28 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.695 -0.684 . . . . 1.21 109.348 177.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -70.92 141.73 87.19 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.562 -0.29 . . . . 0.83 110.228 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.8 -3.29 6.6 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.722 2.282 . . . . 0.84 113.426 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 p -113.6 8.19 17.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 1.13 110.677 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -82.8 172.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.683 -0.69 . . . . 1.37 109.8 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.541 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 43.9 p -104.29 148.9 25.83 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.99 0.424 . . . . 1.1 110.755 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.415 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 41.2 mm -59.65 -24.15 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.536 -0.756 . . . . 1.14 109.442 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.21 -39.31 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 1.47 110.062 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.541 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.4 mm-40 -65.93 -36.83 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.7 109.851 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.421 HG12 ' CD2' ' A' ' 92' ' ' PHE . 45.1 mt -64.25 -48.83 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.515 -0.766 . . . . 0.98 110.4 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 89.2 mttt -65.59 -43.49 89.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.706 -0.679 . . . . 1.69 110.893 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -59.08 -27.22 65.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.83 110.562 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.562 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 59.8 t-80 -79.45 -38.16 35.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.56 -0.746 . . . . 2.1 109.693 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.49 -30.32 69.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.66 -0.496 . . . . 1.05 109.66 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 102' ' ' LYS . 74.4 mt -66.45 -45.34 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 1.07 110.088 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -73.88 -12.47 60.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.767 -0.651 . . . . 1.14 111.505 -173.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 15.7 pt-20 -112.13 22.02 15.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.742 0.306 . . . . 0.42 111.053 175.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 57.31 39.16 28.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.762 -0.654 . . . . 1.86 112.721 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.483 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 74.0 mmtt -101.02 -18.78 16.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.201 -0.454 . . . . 1.89 110.2 175.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -152.82 176.33 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.97 111.218 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t -96.57 -50.84 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 1.26 111.259 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -137.94 168.64 19.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.34 -0.144 . . . . 2.21 111.089 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.642 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 18.8 pt -60.83 -48.24 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 111.879 0.326 . . . . 0.94 111.879 -175.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.1 t -72.91 -11.63 60.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.72 0.295 . . . . 1.86 111.59 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 46.8 mm-40 -78.84 -4.03 47.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.848 0.832 . . . . 0.8 109.334 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.7 mt -116.12 128.69 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 113.58 -1.646 . . . . 1.04 108.537 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.486 ' HD3' HG12 ' A' ' 125' ' ' VAL . 2.3 tmmm? -137.05 115.26 11.67 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.822 -0.751 . . . . 1.68 110.538 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 145' ' ' THR . 56.4 mt -91.73 146.57 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.437 -0.801 . . . . 1.45 109.961 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 145' ' ' THR . 4.2 mp -129.26 136.19 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.977 -0.379 . . . . 1.05 109.977 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 tt -115.55 108.59 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.615 -0.883 . . . . 2.02 108.615 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 122' ' ' LYS . 61.1 tttp 64.56 28.8 13.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.793 0.806 . . . . 2.95 109.824 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.08 -12.47 67.62 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.621 -0.718 . . . . 0.47 112.412 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -73.31 120.72 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.733 0.301 . . . . 2.59 110.541 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.486 HG12 ' HD3' ' A' ' 118' ' ' LYS . 51.1 t -63.29 120.96 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.608 -0.724 . . . . 1.05 111.15 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.0 mt -99.14 120.44 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.79 -0.641 . . . . 1.04 109.788 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -72.75 170.53 14.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.211 -0.449 . . . . 2.21 111.307 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.409 ' HA ' ' HZ2' ' A' ' 102' ' ' LYS . 5.7 p-10 -55.14 -47.65 74.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.223 -0.444 . . . . 0.45 112.04 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -109.56 29.52 7.49 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.45 0.907 . . . . 2.07 113.45 -172.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.74 139.42 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.155 -0.341 . . . . 1.11 110.292 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.487 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 51.3 m-85 -88.57 141.75 28.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.294 . . . . 0.57 110.839 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.7 -16.92 62.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.274 -0.421 . . . . 1.11 111.056 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 p -70.07 -26.25 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.105 0.478 . . . . 1.81 110.644 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -83.82 -36.85 23.19 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.235 -0.654 . . . . 1.93 109.235 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 29.9 mt -70.73 -50.83 32.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.033 -0.985 . . . . 1.22 111.022 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt 59.82 75.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.629 -0.714 . . . . 3.45 110.22 -174.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 t -75.23 101.99 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 1.22 109.34 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.9 p -83.54 155.15 65.86 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.113 -0.494 . . . . 1.52 111.168 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.79 -44.88 21.44 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.014 2.476 . . . . 1.06 113.57 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.57 58.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.505 -0.316 . . . . 1.42 111.782 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -109.33 38.49 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.0 0.429 . . . . 1.23 110.45 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.6 p -85.1 -11.19 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.039 -0.528 . . . . 1.57 111.492 -176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 33.7 m -80.97 102.08 9.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.402 0.62 . . . . 1.17 110.055 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 17.5 mm -99.74 143.01 14.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.447 -0.797 . . . . 1.1 109.804 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 7.9 m -86.34 107.72 18.12 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.072 -0.344 . . . . 1.06 110.072 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 148' ' ' ILE . 8.3 p -103.83 118.33 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 122.18 0.99 . . . . 1.1 110.772 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 58.8 mtt -105.39 107.55 18.59 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.849 -1.069 . . . . 2.16 109.815 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.468 HG13 HG21 ' A' ' 146' ' ' VAL . 68.0 mt -129.04 141.84 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.98 110.567 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -132.67 95.84 19.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 123.272 0.358 . . . . 1.73 110.15 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.6 101.42 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.313 2.675 . . . . 0.78 112.372 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -77.78 138.81 39.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.914 -0.584 . . . . 3.79 110.549 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -152.46 122.03 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.204 0.526 . . . . 6.02 109.951 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -92.16 15.67 13.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.922 -0.581 . . . . 5.3 111.191 -176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -120.2 153.18 36.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.565 -0.531 . . . . 8.73 109.565 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 58.19 69.44 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.656 0.597 . . . . 8.61 109.877 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -142.5 35.69 1.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.827 -0.624 . . . . 9.6 110.798 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -122.44 125.94 46.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.003 -0.544 . . . . 11.67 110.585 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -81.69 -23.74 36.65 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.997 -0.742 . . . . 14.29 108.997 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.17 -0.923 . . . . 16.06 109.293 175.57 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.579 -0.526 . . . . 4.2 109.579 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t 55.75 80.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.502 0.668 . . . . 1.95 111.24 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -107.55 128.97 54.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.818 -0.628 . . . . 3.9 110.109 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.5 121.27 43.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.05 0.452 . . . . 1.28 110.938 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -99.59 96.17 7.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.9 mt -82.74 99.61 9.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.97 -0.559 . . . . 1.43 110.054 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -91.6 121.7 33.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 1.81 110.419 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.469 ' HB2' HG12 ' A' ' 146' ' ' VAL . 85.4 tttt -116.15 118.39 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 1.14 111.476 -174.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.406 HD13 HG22 ' A' ' 81' ' ' ILE . 7.9 pt -126.39 43.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.348 0.594 . . . . 1.31 111.267 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.471 ' N ' ' HG2' ' A' ' 85' ' ' LYS . 29.0 mm-40 -114.69 -85.92 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 1.81 111.285 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.68 133.61 3.19 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 110.561 -0.163 . . . . 1.22 110.561 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -82.84 13.31 33.51 Favored 'Cis proline' 0 C--N 1.346 0.396 0 C-N-CA 123.976 -1.26 . . . . 1.17 112.046 -3.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.482 ' HB2' ' HZ1' ' A' ' 85' ' ' LYS . 9.7 mtmp? 74.44 143.63 0.07 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.409 -0.814 . . . . 2.51 112.09 175.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 2.6 p90 -178.83 -177.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.559 -0.746 . . . . 0.38 109.373 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -144.92 126.73 15.31 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 1.84 109.707 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 pt -128.22 139.85 50.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.28 -0.418 . . . . 1.05 111.359 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -105.48 117.36 33.82 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.843 -0.428 . . . . 1.53 109.843 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -132.56 146.46 51.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.856 0.36 . . . . 3.09 110.744 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -115.2 141.95 47.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.596 -0.52 . . . . 1.83 109.596 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -139.64 149.04 43.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.877 -0.601 . . . . 1.21 109.623 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -71.93 146.12 89.95 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.161 -0.472 . . . . 0.83 110.815 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.97 -43.63 46.56 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.495 2.13 . . . . 0.84 113.576 -173.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.2 m -87.5 9.75 19.94 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.886 -0.509 . . . . 1.13 111.927 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.17 153.99 24.5 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.989 -1.115 . . . . 1.37 107.989 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.517 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.1 p -100.72 156.48 17.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.262 0.553 . . . . 1.1 111.732 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.454 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 38.7 mm -56.59 -27.88 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.3 -0.864 . . . . 1.14 110.015 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.44 -37.57 87.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.979 -0.555 . . . . 1.47 109.741 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.517 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.8 mm-40 -66.34 -38.46 87.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.7 109.98 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.433 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 43.1 mt -64.08 -45.28 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.828 -0.624 . . . . 0.98 110.134 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 98' ' ' ILE . 2.4 mptm? -61.16 -53.54 55.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.368 -0.833 . . . . 1.69 111.337 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.54 -20.47 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.203 0.525 . . . . 0.83 110.474 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.651 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 5.9 t60 -77.26 -40.28 45.22 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.688 -0.856 . . . . 2.1 108.688 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 53.5 mt -73.25 -38.08 66.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 1.05 110.434 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 102' ' ' LYS . 80.7 mt -57.87 -47.47 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 1.07 110.28 173.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.0 p -72.67 -23.6 60.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 1.14 111.956 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -99.9 20.51 14.16 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.011 0.434 . . . . 0.42 111.096 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 55.92 46.39 22.15 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.45 -0.795 . . . . 1.86 111.909 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 39.9 mmtm -110.26 -7.4 14.85 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.832 -0.622 . . . . 1.89 110.338 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.63 -174.75 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.97 111.783 -174.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.6 t -108.91 -66.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.814 -0.63 . . . . 1.26 110.56 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -126.32 169.68 12.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.631 -0.259 . . . . 2.21 110.608 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 36.2 pt -61.6 -41.33 89.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.255 0.55 . . . . 0.94 111.052 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 114' ' ' ILE . 11.6 p -76.56 -17.01 59.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.417 0.525 . . . . 1.86 112.417 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -82.2 7.09 14.57 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.598 0.713 . . . . 0.8 110.098 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.427 ' CG2' ' HE2' ' A' ' 102' ' ' LYS . 69.4 mt -119.18 110.29 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 114.308 -1.314 . . . . 1.04 108.797 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -98.63 113.14 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.235 -0.654 . . . . 1.68 109.235 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.5 mt -101.27 126.81 48.04 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.847 -0.427 . . . . 1.45 109.847 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 mp -129.82 138.0 50.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 1.05 110.082 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.6 tp -114.7 100.71 8.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 2.02 110.018 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 56.02 41.64 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.486 -0.779 . . . . 2.95 110.854 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.0 -14.32 64.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.95 -0.643 . . . . 0.47 112.739 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -83.92 115.98 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.681 -0.305 . . . . 2.59 110.541 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.91 110.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.016 -0.538 . . . . 1.05 110.464 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.421 HD23 HD21 ' A' ' 135' ' ' LEU . 46.7 mt -83.98 135.76 34.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.321 -0.622 . . . . 1.04 109.321 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -84.25 161.63 20.43 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.918 -0.313 . . . . 2.21 110.994 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -47.47 -47.04 27.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.772 0.67 . . . . 0.45 112.427 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -116.11 28.69 8.44 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.571 0.952 . . . . 2.07 113.571 -174.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.428 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.21 141.2 58.14 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.205 -0.309 . . . . 1.11 110.541 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.522 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.0 m-85 -81.29 142.28 33.26 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.673 0.273 . . . . 0.57 110.794 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.21 -15.76 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 1.11 111.765 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.6 -22.92 62.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.058 0.456 . . . . 1.81 110.436 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -91.17 -22.8 20.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.791 -0.64 . . . . 1.93 109.822 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 34.1 mt -83.4 -53.79 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.372 -0.831 . . . . 1.22 110.486 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 58.75 70.08 0.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.544 -0.753 . . . . 3.45 111.06 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.1 t -80.45 102.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.22 110.223 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.5 p -84.3 160.28 57.41 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.626 -0.715 . . . . 1.52 111.175 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -46.27 -48.15 13.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.274 2.65 . . . . 1.06 113.953 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.23 -17.62 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 1.42 111.692 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.54 27.68 9.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 1.23 110.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.5 t -73.12 -16.98 61.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.749 -0.66 . . . . 1.57 111.362 -175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.7 m -69.3 103.21 1.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.345 0.593 . . . . 1.17 111.233 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.9 mm -106.49 141.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.561 -0.745 . . . . 1.1 109.541 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.1 m -96.15 117.66 31.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.409 -0.589 . . . . 1.06 109.409 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.482 HG21 HG13 ' A' ' 148' ' ' ILE . 11.6 p -116.53 111.69 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.116 0.96 . . . . 1.1 110.943 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 78.3 mtp -97.92 102.15 13.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.214 -0.903 . . . . 2.16 109.3 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.521 ' O ' ' HD2' ' A' ' 149' ' ' LYS . 52.4 mt -120.46 137.86 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 121.044 -0.263 . . . . 0.98 111.051 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.521 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 10.6 mmmm -127.32 107.23 21.39 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.753 -0.832 . . . . 1.73 108.753 172.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.73 167.66 18.76 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.868 2.379 . . . . 0.78 112.733 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -85.9 56.98 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.623 -0.717 . . . . 3.79 110.55 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.79 138.34 58.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 6.02 109.88 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.37 -7.95 50.55 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.372 0.508 . . . . 5.3 112.372 -172.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -73.8 83.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.855 0.359 . . . . 8.73 110.214 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -107.1 -7.23 16.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.198 0.523 . . . . 8.61 110.166 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -118.75 134.87 54.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.765 -0.652 . . . . 9.6 109.518 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -111.92 126.97 55.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.305 -0.407 . . . . 11.67 110.438 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -85.37 61.39 6.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.313 0.578 . . . . 14.29 109.733 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 40.7 t60 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.286 -0.87 . . . . 16.06 109.491 -176.277 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.581 0.229 . . . . 4.2 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.56 87.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.09 0.471 . . . . 1.95 110.612 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -108.38 126.6 53.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.028 -0.533 . . . . 3.9 109.94 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mp -106.59 124.18 49.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.485 -0.325 . . . . 1.28 110.24 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 m -98.72 92.51 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.069 0.462 . . . . 1.0 110.321 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.419 ' HB2' HG13 ' A' ' 88' ' ' ILE . 6.8 mp -79.47 107.97 12.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.646 -0.706 . . . . 1.43 110.507 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -102.04 120.6 40.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.208 -0.451 . . . . 1.81 110.524 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.617 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.0 tttt -102.41 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 1.14 111.163 -173.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 pt -112.31 40.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 1.31 111.536 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -115.84 -90.81 0.54 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.81 111.39 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -165.19 136.09 3.11 Favored Pre-proline 0 C--N 1.332 -0.177 0 N-CA-C 110.469 -0.197 . . . . 1.22 110.469 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.87 13.71 23.49 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.536 -1.443 . . . . 1.17 112.317 -2.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 73.52 145.68 0.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.282 -0.872 . . . . 2.51 111.504 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -174.41 -177.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.38 109.843 177.16 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.6 m -142.48 123.5 14.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.909 -0.404 . . . . 1.84 109.909 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.419 HG13 ' HB2' ' A' ' 78' ' ' LEU . 20.6 pt -131.36 145.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.903 0.382 . . . . 1.05 110.852 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.05 118.67 34.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.242 -0.435 . . . . 1.53 109.829 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -129.71 127.02 39.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.319 -0.4 . . . . 3.09 110.627 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.43 146.13 28.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.362 -0.381 . . . . 1.83 110.16 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.489 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.6 m-85 -147.2 172.84 13.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.854 -0.612 . . . . 1.21 110.269 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.3 m -81.36 141.25 49.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.083 -0.508 . . . . 0.83 109.978 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.25 -16.46 51.18 Favored 'Trans proline' 0 C--O 1.219 -0.428 0 C-N-CA 123.077 2.518 . . . . 0.84 113.687 -175.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -103.89 9.96 36.56 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.653 -0.419 . . . . 1.13 111.337 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' OD1' ' HG3' ' A' ' 100' ' ' GLN . 13.5 t0 -86.62 167.91 14.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.357 -0.609 . . . . 1.37 109.357 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.9 p -105.75 153.51 21.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.302 0.573 . . . . 1.1 111.689 -176.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.02 -26.73 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.201 -0.909 . . . . 1.14 110.375 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.81 -38.5 82.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 1.47 109.814 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.497 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 28.2 mm-40 -65.44 -40.47 93.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.863 0.363 . . . . 0.7 110.097 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.489 HG12 ' CE2' ' A' ' 92' ' ' PHE . 48.3 mt -64.46 -47.09 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.98 110.381 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 114' ' ' ILE . 92.0 mttt -65.47 -45.9 81.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.607 -0.724 . . . . 1.69 111.454 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -59.5 -27.85 66.51 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.287 0.565 . . . . 0.83 110.289 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.552 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 48.3 t-80 -76.14 -42.3 47.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.376 -0.829 . . . . 2.1 109.218 -175.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 42.0 mt -63.44 -35.92 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.969 -0.56 . . . . 1.05 110.019 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.484 HD11 ' N ' ' A' ' 114' ' ' ILE . 76.0 mt -63.16 -46.77 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 1.07 110.3 172.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.8 p -68.54 -16.28 63.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.921 -0.581 . . . . 1.14 111.585 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.9 pt-20 -108.57 19.65 19.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.97 0.415 . . . . 0.42 110.693 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 58.3 35.51 24.94 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.523 -0.762 . . . . 1.86 112.903 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.456 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 75.8 mmtt -101.13 -10.13 20.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.347 -0.388 . . . . 1.89 110.62 177.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.31 173.02 17.48 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.139 -0.482 . . . . 0.97 111.849 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.5 t -92.74 -64.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 1.26 110.576 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -129.18 168.08 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.945 -0.391 . . . . 2.21 109.945 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 30.3 pt -57.76 -42.39 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.436 . . . . 0.94 111.142 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 p -77.88 -9.52 59.1 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.648 0.61 . . . . 1.86 112.648 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -83.03 -2.76 56.15 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.964 0.888 . . . . 0.8 109.087 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.41 HD12 HD11 ' A' ' 105' ' ' LEU . 64.8 mt -106.86 111.36 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 113.825 -1.534 . . . . 1.04 109.159 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 147' ' ' MET . 0.2 OUTLIER -98.01 112.11 24.17 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.32 -0.993 . . . . 1.68 108.32 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 126' ' ' LEU . 14.6 mt -104.95 129.62 53.31 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.751 0.31 . . . . 1.45 110.224 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.34 138.7 49.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.971 -0.559 . . . . 1.05 109.845 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.0 tt -113.19 100.33 8.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.495 -0.928 . . . . 2.02 108.495 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 52.3 40.8 29.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.312 -0.858 . . . . 2.95 110.588 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.51 -21.57 43.53 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.653 -0.703 . . . . 0.47 113.053 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -74.71 117.07 16.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.862 0.363 . . . . 2.59 110.969 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.05 119.55 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.723 -0.671 . . . . 1.05 110.947 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 119' ' ' LEU . 37.2 mt -96.38 121.43 38.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.434 -0.58 . . . . 1.04 109.434 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -74.58 -177.97 3.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 2.21 111.332 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.401 ' HA ' ' HZ2' ' A' ' 102' ' ' LYS . 8.5 p-10 -60.47 -53.38 58.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.45 112.217 -176.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -115.25 29.28 8.13 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.927 0.714 . . . . 2.07 112.927 -173.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.77 132.55 49.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.62 0.248 . . . . 1.11 110.549 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.45 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 65.1 m-85 -77.29 142.06 39.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.796 0.331 . . . . 0.57 110.861 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.52 -15.74 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 1.11 111.193 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -70.86 -27.26 63.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.151 0.501 . . . . 1.81 110.293 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.22 -31.15 25.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.333 -0.617 . . . . 1.93 109.333 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 25.5 mt -75.26 -53.76 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.927 -1.033 . . . . 1.22 110.897 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 60.9 75.18 0.42 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.88 -0.6 . . . . 3.45 110.758 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.89 101.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 1.22 109.505 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 72.1 p -76.35 153.06 83.98 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.15 -0.477 . . . . 1.52 110.451 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.2 -7.77 7.19 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.49 2.794 . . . . 1.06 113.213 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -99.85 -35.06 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.948 0.404 . . . . 1.42 110.575 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -104.07 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 1.23 110.346 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.6 m -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 1.57 110.944 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.5 m -75.22 105.14 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 1.17 110.446 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.4 ' CG2' HD23 ' A' ' 119' ' ' LEU . 35.0 mm -103.28 131.47 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.75 -0.659 . . . . 1.1 110.093 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.3 m -89.09 115.64 26.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.445 -0.576 . . . . 1.06 109.445 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.617 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 11.8 p -115.22 114.21 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-O 122.2 1.0 . . . . 1.1 110.727 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.452 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 63.4 mtt -102.24 101.13 11.39 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.283 -0.871 . . . . 2.16 109.256 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.498 HG13 HG22 ' A' ' 146' ' ' VAL . 75.4 mt -115.02 134.75 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.554 . . . . 0.98 110.434 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -126.38 97.28 34.46 Favored Pre-proline 0 C--N 1.316 -0.859 0 N-CA-C 109.349 -0.611 . . . . 1.73 109.349 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.81 153.97 34.32 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.951 2.434 . . . . 0.78 112.211 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -125.62 118.29 25.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.194 -0.457 . . . . 3.79 110.327 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.7 tp -126.21 57.83 1.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.61 0.719 . . . . 6.02 109.786 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -80.9 -13.76 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.371 -0.831 . . . . 5.3 109.766 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -148.95 134.05 18.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.192 -0.913 . . . . 8.73 109.487 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -58.27 126.34 27.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.89 0.376 . . . . 8.61 110.599 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -84.79 -37.79 20.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.621 -0.718 . . . . 9.6 110.803 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -88.0 111.86 21.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.795 -0.446 . . . . 11.67 109.795 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -91.9 170.08 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.029 0.442 . . . . 14.29 110.684 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.454 -0.784 . . . . 16.06 109.651 175.667 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 90' ' ' HIS . 7.2 mp . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.845 0.355 . . . . 0.54 111.242 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 m -98.94 107.45 19.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.546 -0.539 . . . . 0.26 109.546 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.448 ' HB2' HG13 ' A' ' 88' ' ' ILE . 17.2 mt -87.78 105.02 17.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.019 -0.363 . . . . 0.72 110.019 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -100.17 117.28 34.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.997 0.427 . . . . 1.39 110.635 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 83.3 tttt -101.03 109.3 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.4 110.998 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.8 pt -112.61 30.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.037 -0.529 . . . . 0.64 111.402 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -104.15 -89.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.366 -0.379 . . . . 1.22 111.774 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . . . -164.05 136.66 3.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 110.392 -0.225 . . . . 0.6 110.392 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.24 16.6 18.68 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.926 -1.281 . . . . 0.77 111.916 -2.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 72.56 143.51 0.06 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.256 -0.883 . . . . 1.96 112.311 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.489 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 1.6 p90 -175.08 -177.52 1.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.354 -0.839 . . . . 0.32 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 p -138.17 120.1 15.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.823 0.345 . . . . 1.32 110.072 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.448 HG13 ' HB2' ' A' ' 78' ' ' LEU . 27.8 pt -127.52 175.92 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.38 110.249 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -149.79 146.26 27.07 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.264 -0.426 . . . . 1.45 109.87 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 76' ' ' LEU . 11.1 p80 -144.46 152.64 40.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 2.42 110.597 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.24 122.09 30.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 1.83 109.945 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -137.65 161.44 36.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.424 -0.353 . . . . 0.97 110.145 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -84.95 148.41 50.75 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.852 -0.613 . . . . 0.81 109.764 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -51.71 -28.86 31.31 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.994 3.129 . . . . 0.73 114.867 -168.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.5 m -81.06 -2.06 46.65 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.815 -0.553 . . . . 0.89 112.288 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.37 163.43 27.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.953 -0.758 . . . . 1.37 108.953 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.614 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 74.5 p -118.3 155.86 29.88 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 0.32 111.427 -176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.509 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 30.6 mm -53.17 -34.36 21.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.516 -0.765 . . . . 0.24 110.571 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.71 110.867 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.614 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 75.7 mm-40 -69.28 -38.76 78.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.026 0.441 . . . . 0.7 109.844 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 98' ' ' ILE . 44.9 mt -63.08 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 0.21 109.713 174.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HG3' HD12 ' A' ' 117' ' ' ILE . 2.4 mptm? -62.96 -51.64 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 0.94 111.432 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -54.07 -27.05 30.09 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.83 110.268 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.664 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 61.1 t-80 -76.29 -44.51 36.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.324 -0.853 . . . . 1.21 109.298 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.432 HD12 HG21 ' A' ' 117' ' ' ILE . 65.1 mt -66.28 -31.48 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 0.18 110.09 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 114' ' ' ILE . 74.2 mt -65.8 -48.71 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.17 110.403 172.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.6 p -68.72 -23.7 64.38 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.869 -0.605 . . . . 0.61 111.468 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 14.5 pt-20 -99.26 13.28 33.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.102 0.477 . . . . 0.42 111.048 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.84 44.6 28.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.28 -0.873 . . . . 1.86 112.311 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.475 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 30.5 mmtp -104.94 -1.29 26.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.567 -0.742 . . . . 1.22 109.15 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -162.28 -179.89 7.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.868 -1.06 . . . . 0.29 110.778 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.2 m -103.16 -60.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.521 . . . . 1.23 110.916 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -130.72 169.44 15.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.622 -0.263 . . . . 1.47 110.963 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.477 ' N ' HD11 ' A' ' 106' ' ' ILE . 38.9 pt -59.67 -42.83 89.79 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 121.265 0.555 . . . . 0.26 111.092 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 114' ' ' ILE . 5.1 p -74.35 -23.93 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.739 0.644 . . . . 1.5 112.739 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -74.34 -0.65 17.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.494 0.664 . . . . 0.8 110.296 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.542 HD12 ' HG3' ' A' ' 102' ' ' LYS . 56.6 mt -111.84 116.93 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.527 -1.215 . . . . 0.26 109.323 176.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -103.72 113.59 27.21 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.536 -0.542 . . . . 1.01 109.536 176.653 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.435 HD22 HG21 ' A' ' 144' ' ' ILE . 17.6 mt -100.66 123.82 45.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.538 -0.542 . . . . 0.73 109.538 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -122.15 134.17 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.23 110.304 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.4 HD22 HG22 ' A' ' 137' ' ' VAL . 52.3 tp -114.98 110.76 20.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.902 -0.59 . . . . 1.36 109.606 176.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.9 tptt 62.59 31.69 16.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 2.47 110.277 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.81 -5.04 85.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.973 -0.632 . . . . 0.47 112.649 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -83.71 125.27 31.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.728 0.299 . . . . 1.94 110.348 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.86 112.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.856 -0.611 . . . . 0.3 110.657 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 135' ' ' LEU . 27.6 mt -86.31 139.96 30.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.222 -0.659 . . . . 0.31 109.222 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -84.45 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.985 -0.286 . . . . 1.67 110.944 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -46.72 -47.47 20.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.773 0.671 . . . . 0.45 112.477 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -115.12 29.67 7.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.434 0.902 . . . . 1.91 113.434 -174.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 129.5 39.95 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.097 -0.377 . . . . 0.39 110.687 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 29.3 m-85 -74.5 142.81 44.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.808 0.337 . . . . 0.47 111.001 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.71 -15.36 61.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 0.28 111.628 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.9 m -76.42 -20.54 56.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 1.25 110.382 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.013 -0.736 . . . . 1.93 109.013 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 126' ' ' LEU . 59.8 mt -71.16 -52.81 17.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.102 -0.954 . . . . 0.42 110.341 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 58.33 58.55 3.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.897 -0.592 . . . . 2.87 110.417 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.4 HG22 HD22 ' A' ' 121' ' ' LEU . 4.8 t -71.32 102.97 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 0.48 110.159 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.5 p -76.52 145.26 75.24 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.451 -0.795 . . . . 0.88 110.395 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -50.37 -25.81 14.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.57 2.847 . . . . 0.93 113.272 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.56 -19.7 57.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.368 -0.378 . . . . 0.89 111.342 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -125.8 39.46 3.95 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.546 -0.539 . . . . 1.1 109.546 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.8 p -78.85 -8.27 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.73 -0.668 . . . . 1.23 112.532 -171.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 36.9 m -76.2 111.26 11.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.48 110.922 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.435 HG21 HD22 ' A' ' 119' ' ' LEU . 29.3 mm -107.54 136.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.783 -0.644 . . . . 0.27 110.075 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 9.4 m -92.42 111.83 23.55 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.233 -0.654 . . . . 0.21 109.233 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.585 HG22 HG13 ' A' ' 148' ' ' ILE . 14.0 p -107.32 113.01 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.151 0.977 . . . . 0.2 110.649 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 62.5 mtt -102.32 101.29 11.54 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.225 -0.898 . . . . 1.62 109.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.585 HG13 HG22 ' A' ' 146' ' ' VAL . 63.0 mt -118.15 137.31 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 CA-C-N 116.209 -0.451 . . . . 0.19 110.616 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.3 mmmm -126.62 100.45 28.5 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.365 -0.605 . . . . 1.18 109.365 173.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo . . . . . 0 C--O 1.235 0.335 0 C-N-CA 122.905 2.403 . . . . 0.78 112.16 -178.205 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.963 0.411 . . . . 0.54 110.367 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.5 m -94.54 96.61 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.137 0.494 . . . . 0.26 109.793 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -83.03 100.92 10.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.638 -0.71 . . . . 0.72 110.076 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -90.88 116.82 29.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.006 0.431 . . . . 1.39 110.134 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 86.8 tttt -99.13 110.73 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.849 -0.614 . . . . 0.4 110.502 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.8 pt -112.62 28.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 0.64 111.757 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -106.09 -91.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 1.22 111.396 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.53 138.16 2.88 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 110.366 -0.235 . . . . 0.6 110.366 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -80.53 12.8 24.14 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.697 -1.376 . . . . 0.77 112.192 -1.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm 72.1 148.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.243 -0.89 . . . . 1.96 112.665 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -178.9 -177.24 0.48 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.16 -0.927 . . . . 0.32 109.586 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -140.99 119.09 11.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.77 0.319 . . . . 1.32 110.192 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.36 150.21 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.356 -0.384 . . . . 0.38 111.166 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -120.41 117.3 27.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.174 -0.467 . . . . 1.45 109.849 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -133.44 132.68 41.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.155 -0.475 . . . . 2.42 109.963 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.89 142.29 38.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.349 0.595 . . . . 1.83 110.919 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CE1' HG12 ' A' ' 101' ' ' ILE . 45.3 m-85 -140.49 173.01 11.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.108 -0.951 . . . . 0.97 108.939 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.1 m -104.61 150.68 38.83 Favored Pre-proline 0 C--N 1.315 -0.914 0 O-C-N 122.116 -0.365 . . . . 0.81 110.123 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.18 -38.77 33.6 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.753 2.302 . . . . 0.73 113.806 -172.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -80.1 -2.2 43.43 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.854 -0.529 . . . . 0.89 112.25 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -76.45 161.48 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.116 -0.698 . . . . 1.37 109.116 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 p -108.17 156.21 19.57 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.839 0.352 . . . . 0.32 110.698 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.585 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 36.0 mm -57.57 -29.24 33.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 0.24 110.216 173.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.28 -32.08 71.91 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.386 -0.37 . . . . 0.71 110.629 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -64.41 -42.19 96.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.7 109.296 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.634 HG12 ' CE1' ' A' ' 92' ' ' PHE . 48.7 mt -66.76 -44.16 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.136 -0.938 . . . . 0.21 110.1 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 31.1 mmtp -58.07 -57.7 11.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.22 -0.9 . . . . 0.94 110.967 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' A' ' 106' ' ' ILE . 64.8 mm-40 -60.57 -24.06 65.14 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.83 111.054 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.703 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 50.3 t-80 -72.89 -46.79 50.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.95 -0.759 . . . . 1.21 108.95 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 117' ' ' ILE . 65.4 mt -64.51 -36.27 83.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.18 110.283 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.496 HD11 ' N ' ' A' ' 114' ' ' ILE . 79.4 mt -60.02 -48.01 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.968 0.413 . . . . 0.17 110.523 173.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.4 p -68.18 -23.46 64.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 0.61 111.656 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.703 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.5 pt-20 -101.66 18.75 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 0.42 111.197 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.82 28.86 17.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.729 -0.669 . . . . 1.86 112.63 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.548 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.0 mmtm -88.99 -23.45 22.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.333 -0.394 . . . . 1.22 110.308 177.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.34 167.47 27.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 0.29 111.31 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.1 m -86.55 -55.47 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 1.23 111.395 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.505 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 68.0 m80 -133.52 169.12 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.707 -0.224 . . . . 1.47 110.777 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.496 ' N ' HD11 ' A' ' 106' ' ' ILE . 20.3 pt -58.67 -47.68 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 112.345 0.498 . . . . 0.26 112.345 -174.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 m -83.86 -5.63 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.971 0.36 . . . . 1.5 111.971 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 16.8 mm-40 -75.18 -6.89 52.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.968 0.89 . . . . 0.8 108.945 173.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.524 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 46.8 mt -105.52 112.64 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 113.466 -1.697 . . . . 0.26 108.742 173.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 147' ' ' MET . 0.4 OUTLIER -99.44 113.06 25.2 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.093 -0.706 . . . . 1.01 109.093 177.373 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 98' ' ' ILE . 29.4 mt -102.51 131.23 49.36 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.805 0.336 . . . . 0.73 110.311 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 mp -133.88 142.68 47.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.986 -0.552 . . . . 0.23 109.878 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.9 tp -114.28 99.28 7.48 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.539 -0.541 . . . . 1.36 109.539 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 53.12 42.46 32.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.481 -0.781 . . . . 2.47 111.212 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.95 -21.91 42.64 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.499 -0.773 . . . . 0.47 112.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -75.87 116.67 16.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.822 0.344 . . . . 1.94 110.579 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.93 120.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.974 -0.557 . . . . 0.3 110.909 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.599 HD22 HD22 ' A' ' 135' ' ' LEU . 32.5 mt -96.77 129.64 44.16 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.89 -0.781 . . . . 0.31 108.89 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -79.97 166.95 21.09 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.038 -0.265 . . . . 1.67 111.261 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -57.27 -46.85 82.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.923 0.342 . . . . 0.45 111.923 -174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -115.92 29.99 7.63 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.131 0.491 . . . . 1.91 111.759 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 135.47 43.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.987 -0.446 . . . . 0.39 109.998 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 61.7 m-85 -73.02 144.24 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.47 110.701 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.66 -15.04 61.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.28 111.766 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.95 -32.04 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 1.25 110.778 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.99 -21.54 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.809 -0.632 . . . . 1.93 110.24 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.599 HD22 HD22 ' A' ' 126' ' ' LEU . 23.0 mt -89.79 -52.8 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.576 -0.738 . . . . 0.42 110.126 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 136' ' ' LYS . 4.4 ttmp? 60.36 77.32 0.33 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.236 -0.893 . . . . 2.87 111.272 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.64 102.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.48 109.635 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 31.8 p -75.86 145.21 77.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.074 -0.512 . . . . 0.88 110.016 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.94 -22.19 37.11 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.064 2.509 . . . . 0.93 113.057 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.02 31.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.89 110.837 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.12 41.13 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.236 -0.653 . . . . 1.1 109.236 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.3 p -81.93 6.18 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.467 -0.788 . . . . 1.23 112.461 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 17.6 m -78.68 109.81 13.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.102 0.477 . . . . 0.48 110.686 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.404 HG21 HD22 ' A' ' 119' ' ' LEU . 37.4 mm -111.21 142.4 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.872 -0.604 . . . . 0.27 110.111 -178.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 28.8 m -96.93 118.86 34.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.486 -0.561 . . . . 0.21 109.486 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 148' ' ' ILE . 14.6 p -118.93 115.43 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 122.06 0.933 . . . . 0.2 110.858 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.415 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 57.0 mtm -101.71 101.29 11.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.3 -0.863 . . . . 1.62 109.468 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 146' ' ' VAL . 53.4 mt -113.58 137.04 48.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.393 -0.367 . . . . 0.19 110.083 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 88.8 24.92 Favored Pre-proline 0 C--N 1.318 -0.793 0 N-CA-C 108.971 -0.751 . . . . 1.18 108.971 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo . . . . . 0 C--N 1.344 0.298 0 C-N-CA 122.734 2.289 . . . . 0.78 112.767 -176.08 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.887 0.375 . . . . 0.54 110.645 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 48.9 m -89.79 93.94 9.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.749 -0.463 . . . . 0.26 109.749 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HB2' HG13 ' A' ' 88' ' ' ILE . 14.2 mt -81.98 97.35 8.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.976 -0.556 . . . . 0.72 109.554 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.78 116.37 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.39 110.598 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 87.4 tttt -98.65 111.1 23.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 0.4 110.769 -176.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.9 pt -114.24 20.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.891 -0.595 . . . . 0.64 111.988 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -101.54 -88.71 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.723 -0.391 . . . . 1.22 111.492 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.5 143.01 2.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 122.404 -0.185 . . . . 0.6 110.668 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -76.53 13.46 9.53 Favored 'Cis proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.953 -1.27 . . . . 0.77 113.232 -7.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.6 mttp 74.67 147.13 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.733 0.813 . . . . 1.96 112.446 173.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -173.73 178.01 2.35 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.73 -0.668 . . . . 0.32 109.941 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.8 p -136.38 119.52 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.706 0.289 . . . . 1.32 110.417 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.429 HG13 ' HB2' ' A' ' 78' ' ' LEU . 24.6 pt -132.81 143.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.38 110.829 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -119.69 121.44 39.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.366 -0.379 . . . . 1.45 109.996 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -132.82 131.29 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.038 -0.528 . . . . 2.42 110.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -105.23 142.61 34.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.833 0.349 . . . . 1.83 110.213 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.63 173.23 11.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.126 -0.488 . . . . 0.97 110.522 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.1 m -81.27 140.63 49.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.81 110.024 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -63.56 -7.92 13.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.366 2.711 . . . . 0.73 114.66 -173.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -114.23 10.42 17.24 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.807 -0.558 . . . . 0.89 111.378 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.51 171.32 13.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.691 -0.485 . . . . 1.37 109.691 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 p -109.08 147.99 31.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.024 0.44 . . . . 0.32 111.286 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.536 HD13 HD12 ' A' ' 101' ' ' ILE . 41.8 mm -55.85 -24.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.414 -0.812 . . . . 0.24 110.532 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.22 -39.48 79.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 0.71 110.452 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 51.6 mm-40 -71.46 -34.11 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.993 0.425 . . . . 0.7 110.121 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.536 HD12 HD13 ' A' ' 98' ' ' ILE . 38.1 mt -67.92 -45.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.21 110.041 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 81.8 mttt -64.28 -47.48 79.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.639 -0.71 . . . . 0.94 110.864 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -61.91 -23.69 66.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.015 0.436 . . . . 0.83 110.6 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.615 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 5.8 t60 -79.82 -35.91 37.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.716 -0.674 . . . . 1.21 109.457 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.417 HD12 HD13 ' A' ' 117' ' ' ILE . 54.7 mt -71.41 -31.93 67.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.632 -0.507 . . . . 0.18 109.632 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.537 HD11 ' N ' ' A' ' 114' ' ' ILE . 74.0 mt -63.5 -45.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.172 0.51 . . . . 0.17 110.144 171.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.7 p -71.06 -27.09 63.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.761 -0.654 . . . . 0.61 111.754 -173.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.6 pt-20 -95.81 18.01 14.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.897 0.379 . . . . 0.42 110.845 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 56.33 37.34 28.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.642 -0.708 . . . . 1.86 112.499 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.5 mmtp -99.96 -11.64 20.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.066 0.46 . . . . 1.22 109.934 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.94 167.71 26.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.419 -0.81 . . . . 0.29 110.671 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.4 m -92.05 -56.54 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 1.23 111.088 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -135.27 165.85 24.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.277 -0.638 . . . . 1.47 109.277 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.567 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 28.5 pt -57.57 -46.3 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.023 0.44 . . . . 0.26 111.354 -176.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' HG13 ' A' ' 114' ' ' ILE . 47.9 t -74.22 -5.98 45.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.678 0.621 . . . . 1.5 112.678 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.39 -6.66 59.53 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.596 -0.89 . . . . 0.8 108.596 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.417 HD13 HD12 ' A' ' 105' ' ' LEU . 62.0 mt -105.6 119.33 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 113.952 -1.476 . . . . 0.26 109.664 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -111.43 113.07 25.26 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.399 -0.593 . . . . 1.01 109.399 175.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.444 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 33.9 mt -100.75 130.32 46.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.982 -0.377 . . . . 0.73 109.982 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.22 131.35 48.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.928 -0.397 . . . . 0.23 109.928 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 144' ' ' ILE . 1.8 tm? -124.78 111.46 15.56 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.508 -0.552 . . . . 1.36 109.508 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp 60.93 40.85 15.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.641 -0.709 . . . . 2.47 110.714 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.0 4.12 88.54 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.844 -0.617 . . . . 0.47 112.849 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -93.86 122.12 36.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 1.94 110.921 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 72.8 t -70.12 109.14 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.752 -0.658 . . . . 0.3 110.564 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 135' ' ' LEU . 21.6 mt -84.88 132.12 34.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.345 -0.613 . . . . 0.31 109.345 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -85.96 170.26 12.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.172 -0.467 . . . . 1.67 111.395 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -51.22 -44.94 61.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.991 -0.55 . . . . 0.45 111.776 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -114.57 29.6 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.028 0.751 . . . . 1.91 113.028 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.465 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.38 129.27 39.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 0.39 110.447 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 60.1 m-85 -75.12 138.73 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.428 -0.351 . . . . 0.47 110.783 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.15 -15.49 63.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.316 -0.402 . . . . 0.28 110.975 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 p -68.2 -26.42 65.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.257 -0.429 . . . . 1.25 111.027 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.72 -18.42 26.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.391 0.615 . . . . 1.93 110.05 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 126' ' ' LEU . 37.1 mt -87.64 -53.89 4.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.302 -0.863 . . . . 0.42 110.306 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 54.98 67.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.921 0.763 . . . . 2.87 110.922 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.445 ' CG1' ' HA ' ' A' ' 142' ' ' SER . 42.3 t -73.83 101.47 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.52 -0.763 . . . . 0.48 109.896 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 139' ' ' PRO . 29.7 p -91.64 164.81 22.73 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.654 -0.703 . . . . 0.88 110.312 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 138' ' ' THR . 82.2 Cg_exo -47.38 -43.82 25.97 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.781 2.32 . . . . 0.93 113.288 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.74 -19.42 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.592 -0.276 . . . . 0.89 111.685 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -118.35 31.17 6.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.614 -0.266 . . . . 1.1 111.022 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 137' ' ' VAL . 40.2 m -85.16 -4.55 59.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.111 -0.236 . . . . 1.23 111.628 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.2 m -83.1 106.35 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.023 0.44 . . . . 0.48 110.184 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.461 HD13 HD23 ' A' ' 121' ' ' LEU . 10.5 mm -106.5 136.53 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.978 -0.555 . . . . 0.27 110.091 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.7 m -88.99 114.23 25.38 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.426 -0.583 . . . . 0.21 109.426 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 148' ' ' ILE . 11.3 p -112.53 113.93 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 122.279 1.038 . . . . 0.2 111.056 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 76.6 mtp -101.87 100.98 11.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.881 -1.054 . . . . 1.62 109.134 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.589 HG13 HG22 ' A' ' 146' ' ' VAL . 39.8 mt -119.53 133.04 67.62 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 CA-C-N 116.476 -0.329 . . . . 0.19 110.18 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 11.7 mmmm -125.79 86.69 57.16 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 109.198 -0.667 . . . . 1.18 109.198 175.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 C-N-CA 123.158 2.572 . . . . 0.78 111.514 -178.08 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.54 111.011 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.2 m -96.52 93.42 6.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.521 -0.548 . . . . 0.26 109.521 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 119' ' ' LEU . 13.9 mt -80.28 98.2 7.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.72 109.8 -175.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -89.72 112.85 24.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.891 -0.595 . . . . 1.39 110.385 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.3 tttt -93.48 111.06 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.4 110.464 -175.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 pt -111.02 33.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.085 -0.507 . . . . 0.64 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -114.68 -91.77 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.936 -0.305 . . . . 1.22 111.647 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.04 136.98 4.68 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.359 -0.237 . . . . 0.6 110.359 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.59 10.43 40.0 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.55 -1.438 . . . . 0.77 112.146 -3.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 75.79 150.37 0.11 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.998 -1.001 . . . . 1.96 112.502 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 1.5 p90 -178.71 -177.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.929 -1.032 . . . . 0.32 109.181 176.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -140.86 113.45 8.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.01 -0.367 . . . . 1.32 110.01 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 pt -116.68 132.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.38 110.853 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.06 116.16 31.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.03 0.443 . . . . 1.45 109.895 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -128.16 131.1 48.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 2.42 110.516 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -103.75 120.65 41.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.115 -0.493 . . . . 1.83 110.07 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.486 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.5 m-85 -124.41 155.1 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 0.97 110.788 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -66.12 141.27 97.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.81 110.658 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.96 -7.28 9.31 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.303 2.669 . . . . 0.73 113.966 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -112.88 7.46 18.34 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.662 -0.415 . . . . 0.89 111.589 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -81.85 169.99 16.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.026 -0.361 . . . . 1.37 110.026 176.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.6 p -107.06 156.3 18.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.009 0.433 . . . . 0.32 111.121 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.493 HG23 HD12 ' A' ' 119' ' ' LEU . 38.7 mm -59.28 -25.69 31.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.685 -0.688 . . . . 0.24 109.988 172.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.38 -39.83 84.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.705 -0.68 . . . . 0.71 110.536 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.404 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 29.5 mm-40 -61.73 -43.5 98.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.956 -0.565 . . . . 0.7 110.028 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 41.5 mt -65.15 -42.72 94.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.279 -0.873 . . . . 0.21 110.357 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.52 ' HD3' ' HB ' ' A' ' 114' ' ' ILE . 37.5 mttp -63.25 -50.04 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.631 -0.713 . . . . 0.94 111.522 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -59.9 -25.81 65.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.287 0.565 . . . . 0.83 110.479 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 64.1 t-80 -77.5 -40.24 43.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.419 -0.809 . . . . 1.21 109.605 -176.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 39.4 mt -69.98 -32.78 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.015 -0.539 . . . . 0.18 110.204 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 114' ' ' ILE . 68.4 mt -64.25 -42.74 96.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.479 0.657 . . . . 0.17 109.531 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -63.72 -40.07 95.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.8 -1.091 . . . . 0.61 111.411 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.7 pt-20 -94.76 21.02 7.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.793 0.33 . . . . 0.42 111.75 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 55.15 44.92 27.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.644 -0.707 . . . . 1.86 112.214 174.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.489 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 41.9 mmtm -107.01 -8.39 16.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.952 -0.567 . . . . 1.22 110.147 177.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -152.0 178.92 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.29 110.954 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 t -103.48 -53.32 2.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 1.23 110.019 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.445 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 44.8 m80 -136.01 171.3 14.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.879 -0.415 . . . . 1.47 109.879 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.52 ' HB ' ' HD3' ' A' ' 102' ' ' LYS . 17.7 pt -59.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 120.594 0.235 . . . . 0.26 111.574 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 114' ' ' ILE . 14.9 t -74.08 -7.34 52.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.021 0.378 . . . . 1.5 112.021 -175.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 39.2 mm-40 -80.9 3.74 21.73 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.781 0.801 . . . . 0.8 109.495 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.412 ' HA ' HG12 ' A' ' 148' ' ' ILE . 60.7 mt -114.05 106.11 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 113.939 -1.482 . . . . 0.26 109.504 177.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.439 ' NZ ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -98.06 112.84 24.64 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.21 -0.663 . . . . 1.01 109.21 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.493 HD12 HG23 ' A' ' 98' ' ' ILE . 19.3 mt -104.1 129.33 51.79 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.809 0.338 . . . . 0.73 110.235 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 mp -127.89 134.58 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 0.23 109.62 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.8 tt -113.89 102.58 10.35 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.59 -0.893 . . . . 1.36 108.59 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 62.47 32.62 16.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.668 0.747 . . . . 2.47 109.834 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.79 -18.83 56.69 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.541 -0.754 . . . . 0.47 112.579 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -73.47 124.18 25.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.579 0.228 . . . . 1.94 110.742 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.439 HG13 ' NZ ' ' A' ' 118' ' ' LYS . 55.4 t -69.16 122.04 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 0.3 111.091 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.596 HD22 HD22 ' A' ' 135' ' ' LEU . 19.2 mt -96.95 139.72 32.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.704 -0.85 . . . . 0.31 108.704 173.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -85.94 178.07 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.992 -0.373 . . . . 1.67 109.992 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.502 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 5.9 p-10 -61.32 -44.18 97.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.74 -0.209 . . . . 0.45 111.516 -177.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -115.13 27.98 9.01 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.331 0.493 . . . . 1.91 112.331 -174.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.427 HD12 HD21 ' A' ' 135' ' ' LEU . 0.2 OUTLIER -63.92 132.03 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.146 -0.316 . . . . 0.39 110.146 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 60.0 m-85 -78.35 138.67 38.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.412 . . . . 0.47 110.666 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.01 -15.34 63.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.587 . . . . 0.28 111.588 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 p -69.71 -24.98 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.077 0.465 . . . . 1.25 110.814 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -91.07 -20.86 21.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 1.93 109.587 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.596 HD22 HD22 ' A' ' 126' ' ' LEU . 35.5 mt -83.72 -58.05 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.358 -0.837 . . . . 0.42 110.87 -177.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.67 72.43 0.53 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.712 0.633 . . . . 2.87 111.573 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 37.9 t -79.94 103.07 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.48 109.779 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.7 p -88.71 161.96 40.2 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.999 -0.546 . . . . 0.88 110.818 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.23 -46.72 21.88 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.625 2.217 . . . . 0.93 113.078 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.45 -6.79 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.89 111.957 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -126.5 31.6 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.216 0.531 . . . . 1.1 109.773 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.9 p -79.6 -17.35 54.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.566 -0.743 . . . . 1.23 111.663 -173.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 43.5 m -73.18 104.93 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 0.48 110.306 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.405 HG21 HD22 ' A' ' 119' ' ' LEU . 35.1 mm -106.19 143.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.784 -0.643 . . . . 0.27 109.843 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 m -95.19 119.16 33.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.684 -0.487 . . . . 0.21 109.684 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 7.2 p -119.68 121.75 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-O 122.115 0.96 . . . . 0.2 110.867 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.423 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 55.9 mtt -105.36 101.14 10.7 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.014 -0.993 . . . . 1.62 108.875 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.565 HG13 HG22 ' A' ' 146' ' ' VAL . 45.6 mt -119.64 137.65 52.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.33 -0.395 . . . . 0.19 110.397 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.502 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.9 mmmm -125.43 104.72 28.11 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.213 -0.662 . . . . 1.18 109.213 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo . . . . . 0 N--CA 1.461 -0.394 0 C-N-CA 122.753 2.302 . . . . 0.78 112.24 -179.23 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.188 -0.301 . . . . 0.54 110.188 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 m -90.56 92.56 8.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.47 -0.567 . . . . 0.26 109.47 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.64 104.62 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.797 -0.638 . . . . 0.72 109.784 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -98.52 114.1 26.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.967 0.413 . . . . 1.39 110.42 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 84.9 tttt -98.26 105.53 17.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.663 -0.699 . . . . 0.4 110.946 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.25 40.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.598 -0.728 . . . . 0.64 110.731 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.8 mm-40 -116.49 -88.13 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.834 -0.621 . . . . 1.22 111.684 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.59 133.75 1.73 Allowed Pre-proline 0 N--CA 1.465 0.305 0 CA-C-O 120.342 0.115 . . . . 0.6 110.703 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.1 12.91 26.33 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 124.212 -1.161 . . . . 0.77 112.051 -1.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt 74.91 147.98 0.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.356 -0.838 . . . . 1.96 112.12 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.483 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.2 p90 -179.01 173.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.266 -0.879 . . . . 0.32 109.267 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 p -132.34 121.16 23.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.838 0.351 . . . . 1.32 110.362 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 pt -127.25 158.47 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 0.38 110.807 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -130.33 131.85 45.57 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.769 -0.826 . . . . 1.45 108.769 169.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -130.19 135.27 47.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.338 -0.392 . . . . 2.42 110.647 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.95 123.67 40.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.981 -0.554 . . . . 1.83 110.88 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 101' ' ' ILE . 38.5 m-85 -135.88 167.06 21.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 0.97 110.661 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -93.23 147.36 33.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.91 -0.587 . . . . 0.81 110.548 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.82 -10.06 21.13 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.22 2.613 . . . . 0.73 114.771 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -114.0 10.38 17.54 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.686 -0.634 . . . . 0.89 111.087 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.3 168.47 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.197 -0.668 . . . . 1.37 109.197 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -108.63 148.05 30.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.128 0.489 . . . . 0.32 111.075 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.546 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 28.1 mm -55.85 -27.72 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.306 -0.861 . . . . 0.24 110.538 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.64 -36.99 74.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.71 110.432 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -63.79 -40.8 97.52 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.562 -0.532 . . . . 0.7 109.562 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 92' ' ' PHE . 22.9 mt -67.86 -42.86 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 0.21 110.267 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 33.2 mmtp -59.13 -55.36 36.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.46 -0.791 . . . . 0.94 110.86 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -63.11 -21.41 66.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.83 110.751 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.67 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 58.1 t-80 -73.45 -42.63 61.73 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.81 -0.811 . . . . 1.21 108.81 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 117' ' ' ILE . 81.2 mt -69.37 -33.92 73.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 0.18 110.593 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.5 HD11 ' N ' ' A' ' 114' ' ' ILE . 67.0 mt -61.7 -51.31 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.31 0.576 . . . . 0.17 110.335 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 p -69.55 -24.11 63.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 0.61 111.87 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.8 pt-20 -96.82 17.64 16.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.787 0.327 . . . . 0.42 111.178 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 56.68 39.2 29.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.806 -0.634 . . . . 1.86 112.138 174.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.503 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.0 mmtp -105.16 -7.2 19.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.506 0.669 . . . . 1.22 109.349 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.68 178.74 8.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.9 -1.045 . . . . 0.29 110.385 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.516 ' HB3' ' HG3' ' A' ' 116' ' ' GLU . 40.1 t -108.86 -51.82 2.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.062 -0.517 . . . . 1.23 111.133 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.443 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 14.2 m80 -127.54 167.91 15.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.621 -0.511 . . . . 1.47 109.621 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.506 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 29.8 pt -62.08 -33.26 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.445 0.641 . . . . 0.26 110.185 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.8 p -85.63 -6.0 59.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.302 -0.863 . . . . 1.5 112.673 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HG3' ' HB3' ' A' ' 112' ' ' SER . 46.7 mm-40 -82.06 -2.81 53.06 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.828 -0.804 . . . . 0.8 108.828 174.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.499 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 33.1 mt -116.41 108.4 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 114.29 -1.323 . . . . 0.26 110.049 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -99.2 112.5 24.64 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.171 -0.677 . . . . 1.01 109.171 175.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.459 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 39.7 mt -98.28 125.3 43.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.66 -0.496 . . . . 0.73 109.66 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 3.7 mp -127.3 137.17 52.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.904 -0.406 . . . . 0.23 109.904 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 35.9 tp -114.72 100.77 8.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.295 -0.412 . . . . 1.36 109.969 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 43.2 tttp 58.44 38.04 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.72 -0.673 . . . . 2.47 110.472 176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.71 -15.54 59.6 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.848 -0.615 . . . . 0.47 112.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 55.7 tptt -81.76 121.11 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 1.94 110.914 -178.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 87.2 t -74.91 112.2 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.3 110.757 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.695 HD22 HD22 ' A' ' 135' ' ' LEU . 17.1 mt -90.25 131.11 36.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 0.31 109.197 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -85.9 170.76 12.05 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.958 -0.297 . . . . 1.67 111.394 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -49.15 -50.78 35.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.45 112.516 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -114.92 30.51 7.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.021 0.438 . . . . 1.91 111.884 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -64.4 133.06 51.81 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.966 -0.459 . . . . 0.39 109.931 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.02 137.73 37.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 0.47 110.59 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.74 -15.51 63.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 0.28 111.235 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.3 p -69.88 -29.27 66.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 1.25 110.778 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -82.73 -27.6 31.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.419 0.628 . . . . 1.93 109.596 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.695 HD22 HD22 ' A' ' 126' ' ' LEU . 31.4 mt -81.78 -55.56 4.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.29 -0.868 . . . . 0.42 110.703 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.5 tptp 56.32 69.79 0.71 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.356 -0.838 . . . . 2.87 110.473 -176.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.5 t -73.96 102.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.446 -0.797 . . . . 0.48 109.843 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 22.9 p -85.35 161.79 50.58 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.401 -0.818 . . . . 0.88 110.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -46.96 -46.37 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.816 2.344 . . . . 0.93 113.012 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.15 -20.53 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 0.89 111.688 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -115.93 30.06 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.998 0.428 . . . . 1.1 110.486 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.7 p -79.59 -18.74 50.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.093 -0.503 . . . . 1.23 111.895 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.8 m -76.63 113.69 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 0.48 110.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.437 HG21 HD22 ' A' ' 119' ' ' LEU . 27.4 mm -111.06 138.99 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.27 110.444 -176.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.8 m -86.96 107.59 18.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.54 -0.541 . . . . 0.21 109.54 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 148' ' ' ILE . 13.2 p -108.62 112.03 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.16 0.981 . . . . 0.2 111.091 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 81.9 mtp -99.05 102.38 14.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.028 -0.987 . . . . 1.62 109.585 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.593 HG13 HG22 ' A' ' 146' ' ' VAL . 72.1 mt -119.63 139.09 48.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.333 -0.394 . . . . 0.19 111.04 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.506 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.6 mmtp -135.12 108.37 10.46 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 108.266 -1.013 . . . . 1.18 108.266 170.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.233 0.27 0 C-N-CA 122.532 2.155 . . . . 0.78 111.97 -178.121 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.931 0.396 . . . . 0.54 110.955 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.9 m -103.12 93.25 4.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.356 -0.609 . . . . 0.26 109.356 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.1 102.29 10.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.669 -0.696 . . . . 0.72 109.867 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -93.15 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.872 0.368 . . . . 1.39 110.447 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 85.5 tttt -99.8 110.26 22.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 0.4 110.61 -176.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 pt -113.21 42.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.425 0.631 . . . . 0.64 110.685 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.538 ' HB3' ' CD ' ' A' ' 149' ' ' LYS . 26.4 mm-40 -116.19 -95.2 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 1.22 111.719 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.57 136.55 3.58 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 110.627 -0.138 . . . . 0.6 110.627 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.4 16.58 12.94 Favored 'Cis proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.624 -1.407 . . . . 0.77 112.823 -6.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 74.65 154.47 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.522 0.729 . . . . 1.96 112.387 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.574 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 0.4 OUTLIER 179.84 -177.25 0.35 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.664 0.786 . . . . 0.32 109.79 174.271 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.4 m -141.11 124.36 16.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.5 -0.556 . . . . 1.32 109.5 171.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.32 138.88 53.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 0.38 110.9 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.32 117.1 33.19 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.129 0.49 . . . . 1.45 109.73 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . 1.5 m-70 -127.31 121.19 30.4 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.851 -0.613 . . . . 2.42 109.914 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.18 135.23 42.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.204 -0.453 . . . . 1.83 110.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 90' ' ' HIS . 72.2 m-85 -142.16 163.91 31.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.111 -0.495 . . . . 0.97 110.426 -178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -78.85 150.28 75.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.778 -0.646 . . . . 0.81 109.763 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.3 -4.93 11.45 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.954 2.436 . . . . 0.73 113.76 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.1 m -105.23 5.76 32.36 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.677 -0.409 . . . . 0.89 110.98 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.42 173.95 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.272 -0.64 . . . . 1.37 109.272 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.505 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 57.3 p -126.41 151.28 47.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.49 . . . . 0.32 110.847 -177.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.469 HD13 HD12 ' A' ' 101' ' ' ILE . 47.0 mm -60.78 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.425 -0.807 . . . . 0.24 110.913 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.96 -36.92 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.014 -0.365 . . . . 0.71 110.014 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.505 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 27.7 mm-40 -70.41 -33.05 70.92 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.819 -0.353 . . . . 0.7 110.316 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.469 HD12 HD13 ' A' ' 98' ' ' ILE . 43.4 mt -69.91 -42.62 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.218 0.532 . . . . 0.21 109.877 176.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HD3' ' HB ' ' A' ' 114' ' ' ILE . 39.9 mttp -62.1 -50.62 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 0.94 110.937 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -58.22 -29.73 65.94 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.266 0.555 . . . . 0.83 110.423 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.674 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 51.9 t-80 -71.82 -45.97 59.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.38 -0.827 . . . . 1.21 109.172 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 42.9 mt -64.25 -35.42 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.604 . . . . 0.18 110.162 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.494 HD11 ' N ' ' A' ' 114' ' ' ILE . 73.7 mt -60.97 -50.1 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 0.17 110.2 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.2 p -66.41 -22.6 66.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.666 -0.697 . . . . 0.61 111.598 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.674 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -104.33 22.97 13.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.208 -0.308 . . . . 0.42 111.353 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.96 37.23 24.63 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.618 -0.719 . . . . 1.86 112.409 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 43.7 mmtm -103.08 -10.03 19.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.284 -0.416 . . . . 1.22 110.783 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.53 170.93 18.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.29 111.413 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 m -88.37 -61.19 1.77 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.813 -0.63 . . . . 1.23 110.938 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -133.78 171.58 13.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.955 -0.387 . . . . 1.47 109.955 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.591 ' HB ' ' HD3' ' A' ' 102' ' ' LYS . 23.1 pt -57.45 -51.65 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 112.088 0.403 . . . . 0.26 112.088 -172.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 114' ' ' ILE . 13.6 t -73.41 -8.3 55.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.076 0.398 . . . . 1.5 112.076 -175.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.15 -4.58 42.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.571 0.7 . . . . 0.8 109.513 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.416 ' HA ' HG12 ' A' ' 148' ' ' ILE . 54.6 mt -109.58 104.88 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.023 -1.444 . . . . 0.26 109.657 177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.11 113.23 25.05 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.24 -0.652 . . . . 1.01 109.24 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.446 HD12 HG23 ' A' ' 98' ' ' ILE . 30.3 mt -102.5 131.94 48.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.718 0.294 . . . . 0.73 110.347 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.03 132.13 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.133 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.0 tp -115.2 104.88 12.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.129 -0.487 . . . . 1.36 110.263 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt 60.7 41.86 14.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.475 0.655 . . . . 2.47 110.335 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.44 69.8 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.47 112.814 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -90.43 124.15 34.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 1.94 111.213 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.3 117.36 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.3 111.005 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 135' ' ' LEU . 46.2 mt -89.56 142.32 27.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.02 -0.734 . . . . 0.31 109.02 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -88.7 176.34 7.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.003 -0.279 . . . . 1.67 111.145 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.41 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 9.5 p-10 -61.11 -50.7 72.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.273 -0.421 . . . . 0.45 111.979 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -115.05 29.18 8.21 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.595 0.591 . . . . 1.91 112.595 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 134.87 54.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.796 0.331 . . . . 0.39 110.45 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -77.48 141.31 39.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.47 110.202 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.07 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.28 111.538 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 m -64.11 -39.22 93.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.22 0.533 . . . . 1.25 110.633 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.37 -30.59 53.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 1.93 109.981 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 126' ' ' LEU . 25.4 mt -75.15 -55.52 5.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.86 . . . . 0.42 110.785 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 61.3 tttp 57.44 72.74 0.5 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.752 -0.658 . . . . 2.87 111.052 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 141' ' ' ASN . 41.4 t -84.66 101.66 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.48 110.133 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 139' ' ' PRO . 40.2 p -91.76 167.53 15.17 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 0.88 109.975 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 138' ' ' THR . 80.7 Cg_exo -48.41 -35.12 27.28 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.126 1.884 . . . . 0.93 112.813 174.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.09 -28.25 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.89 111.594 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.431 ' O ' HG13 ' A' ' 137' ' ' VAL . 47.4 m-80 -113.79 27.69 9.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.258 -0.428 . . . . 1.1 110.075 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.2 p -75.05 -21.17 59.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.826 -0.625 . . . . 1.23 111.811 -172.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.4 m -72.99 110.7 7.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.131 0.491 . . . . 0.48 110.52 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.413 HG21 HD22 ' A' ' 119' ' ' LEU . 24.1 mm -113.27 137.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.946 -0.57 . . . . 0.27 109.849 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.3 m -92.51 113.79 26.17 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.414 -0.587 . . . . 0.21 109.414 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 148' ' ' ILE . 14.2 p -113.82 111.5 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 122.213 1.006 . . . . 0.2 110.906 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 15.4 mmt -98.73 101.46 12.88 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.988 -1.005 . . . . 1.62 109.22 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.597 HG13 HG22 ' A' ' 146' ' ' VAL . 55.0 mt -116.95 134.4 60.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.444 -0.344 . . . . 0.19 110.395 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.538 ' CD ' ' HB3' ' A' ' 82' ' ' GLN . 10.7 mmmm -128.01 91.03 45.88 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.791 -0.363 . . . . 1.18 110.061 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.78 111.577 178.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 76' ' ' LEU . 6.2 mp . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.037 0.446 . . . . 0.54 110.473 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -89.02 96.96 10.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.348 -0.612 . . . . 0.26 109.348 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.434 ' HB2' ' CG1' ' A' ' 88' ' ' ILE . 53.1 mt -79.75 96.62 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.639 0.733 . . . . 0.72 109.516 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -94.77 102.5 14.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.814 -1.085 . . . . 1.39 109.955 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 85.8 tttt -91.42 105.26 17.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 0.4 110.745 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.2 pt -106.74 27.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.607 -0.724 . . . . 0.64 110.743 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.488 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.3 mm-40 -102.38 -96.28 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.22 112.21 -175.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 84' ' ' PRO . . . -158.54 133.26 5.43 Favored Pre-proline 0 C--N 1.332 -0.172 0 O-C-N 122.375 -0.203 . . . . 0.6 110.829 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 83' ' ' ALA . 87.8 Cg_endo -83.71 18.48 22.51 Favored 'Cis proline' 0 C--N 1.346 0.447 0 C-N-CA 123.642 -1.399 . . . . 0.77 112.273 -2.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 74.7 143.13 0.07 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.189 -0.914 . . . . 1.96 112.803 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.46 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.7 p90 -170.11 175.62 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.721 -1.127 . . . . 0.32 108.32 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -144.2 116.1 8.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.027 0.441 . . . . 1.32 109.898 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 22.3 pt -119.41 159.41 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.856 -0.611 . . . . 0.38 110.772 -175.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -123.3 116.54 23.51 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.361 -0.607 . . . . 1.45 109.361 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . 1.8 m-70 -134.88 122.86 22.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.787 0.327 . . . . 2.42 110.729 -176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -95.25 145.39 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.857 0.36 . . . . 1.83 110.035 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 90' ' ' HIS . 97.7 m-85 -141.14 162.12 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.97 110.012 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -74.33 144.36 81.22 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.384 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.9 -3.54 10.7 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.896 2.397 . . . . 0.73 113.149 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -113.81 9.9 17.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.031 0.443 . . . . 0.89 110.526 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -82.57 172.46 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.711 . . . . 1.37 109.079 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.567 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 24.0 p -116.11 151.8 34.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.792 0.33 . . . . 0.32 110.965 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.7 mm -57.18 -29.4 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.803 -0.635 . . . . 0.24 110.364 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.31 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.71 110.403 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.567 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 32.2 mm-40 -67.49 -37.63 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.764 -0.458 . . . . 0.7 109.764 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 98' ' ' ILE . 53.8 mt -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.21 110.18 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.625 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 76.6 mttt -65.31 -47.96 74.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.574 -0.739 . . . . 0.94 110.797 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 106' ' ' ILE . 11.1 mm100 -59.93 -25.35 65.09 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.369 0.604 . . . . 0.83 110.287 175.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.578 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.9 t60 -75.61 -41.29 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.145 -0.934 . . . . 1.21 109.419 -174.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.412 HD12 HG21 ' A' ' 117' ' ' ILE . 43.0 mt -68.92 -34.11 74.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.061 -0.518 . . . . 0.18 109.913 177.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 102' ' ' LYS . 75.7 mt -61.38 -47.72 92.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.17 110.257 173.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.7 p -65.85 -24.3 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.625 . . . . 0.61 111.877 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.7 pt-20 -106.8 20.42 19.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.723 -0.391 . . . . 0.42 111.474 178.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.51 41.45 28.67 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.767 -0.651 . . . . 1.86 112.29 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.4 mmtm -100.65 -11.0 20.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.925 -0.579 . . . . 1.22 109.75 174.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.89 -178.15 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.444 -0.798 . . . . 0.29 110.721 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.6 m -103.94 -59.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.262 -0.426 . . . . 1.23 111.642 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -133.16 173.72 11.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.763 -0.199 . . . . 1.47 110.542 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.625 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 26.2 pt -65.44 -50.64 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.307 0.484 . . . . 0.26 112.307 -170.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 114' ' ' ILE . 18.4 t -70.61 -13.8 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.064 -0.398 . . . . 1.5 111.475 -176.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 9.4 mm-40 -73.49 -5.94 43.28 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.505 0.669 . . . . 0.8 109.464 174.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.437 HG22 ' CD1' ' A' ' 119' ' ' LEU . 41.9 mt -116.02 102.18 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 114.309 -1.314 . . . . 0.26 109.456 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.99 112.95 24.93 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.372 -0.603 . . . . 1.01 109.372 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 117' ' ' ILE . 6.8 mp -97.38 127.85 43.69 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.132 -0.322 . . . . 0.73 110.132 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 5.0 mp -124.33 134.68 53.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.98 -0.378 . . . . 0.23 109.98 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.68 101.49 9.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.8 -0.815 . . . . 1.36 108.8 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.4 tttp 61.4 36.01 17.55 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.719 0.771 . . . . 2.47 109.653 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.43 -11.79 71.13 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.585 -0.734 . . . . 0.47 112.799 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 4.9 tppp? -74.44 119.63 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 1.94 110.85 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -70.86 112.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 0.3 110.616 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.541 HD22 HD22 ' A' ' 135' ' ' LEU . 46.2 mt -88.88 132.35 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.417 -0.586 . . . . 0.31 109.417 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -77.15 162.15 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.149 -0.221 . . . . 1.67 111.251 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -51.25 -44.78 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.35 0.406 . . . . 0.45 111.821 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -114.81 28.87 8.42 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.176 0.806 . . . . 1.91 113.176 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 133.24 46.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.622 0.249 . . . . 0.39 110.373 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 57.1 m-85 -76.84 140.91 40.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.47 110.586 177.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.25 -15.21 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.28 111.207 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 t -69.62 -31.25 69.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.186 0.517 . . . . 1.25 109.794 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -82.6 -17.95 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.758 -0.655 . . . . 1.93 109.9 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.541 HD22 HD22 ' A' ' 126' ' ' LEU . 47.5 mt -92.66 -56.49 2.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.84 -176.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.5 mttp 55.01 76.14 0.27 Allowed 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.734 0.646 . . . . 2.87 110.541 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.47 100.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.303 0.573 . . . . 0.48 110.069 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 33.9 p -68.97 139.11 90.35 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.035 -0.984 . . . . 0.88 110.447 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -53.8 -27.9 45.43 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.179 2.586 . . . . 0.93 113.141 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.14 -22.67 59.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 0.89 111.146 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -125.54 45.21 2.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.254 -0.647 . . . . 1.1 109.254 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p -86.66 -8.66 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.387 -0.824 . . . . 1.23 111.437 -174.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.8 m -80.89 99.04 8.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.196 0.522 . . . . 0.48 109.852 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.0 mm -89.13 131.29 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.452 -0.794 . . . . 0.27 109.603 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.0 m -85.93 104.62 15.74 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.877 -0.786 . . . . 0.21 108.877 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.473 HG22 HG13 ' A' ' 148' ' ' ILE . 8.8 p -105.23 107.74 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 122.45 1.119 . . . . 0.2 110.843 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 57.5 mtt -88.16 102.82 15.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.851 -1.068 . . . . 1.62 109.575 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 116' ' ' GLU . 68.5 mt -121.23 135.22 62.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.382 -0.372 . . . . 0.19 111.142 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.3 mmtp -132.63 97.19 17.65 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 1.18 109.802 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 N--CA 1.464 -0.22 0 C-N-CA 122.539 2.159 . . . . 0.78 111.767 179.821 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.05 0.453 . . . . 0.54 110.107 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' A' ' 143' ' ' THR . 45.4 m -83.31 93.57 7.75 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.268 -0.642 . . . . 0.26 109.268 175.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.453 HD22 HD21 ' A' ' 119' ' ' LEU . 17.8 mt -79.5 96.83 6.21 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.874 -0.787 . . . . 0.72 108.874 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' C ' HG12 ' A' ' 146' ' ' VAL . 83.6 tttt -95.88 113.54 25.17 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.377 -0.828 . . . . 1.39 110.522 -173.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 88.6 tttt -97.38 111.32 23.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.897 -0.592 . . . . 0.4 110.591 -175.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 38.0 pt -113.26 18.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.875 -0.602 . . . . 0.64 111.442 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 15.0 mm-40 -98.36 -90.85 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.88 0.326 . . . . 1.22 111.88 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.56 139.09 3.05 Favored Pre-proline 0 N--CA 1.465 0.298 0 C-N-CA 121.482 -0.087 . . . . 0.6 111.146 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.39 15.11 12.42 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 124.031 -1.237 . . . . 0.77 112.612 -7.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 75.74 154.73 0.16 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.503 0.721 . . . . 1.96 112.566 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -175.21 -179.04 1.26 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.431 -0.804 . . . . 0.32 109.385 173.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -145.79 104.85 3.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.884 0.373 . . . . 1.32 110.198 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 19.6 pt -116.42 158.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.185 -0.461 . . . . 0.38 110.83 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -130.81 121.31 25.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.788 -0.449 . . . . 1.45 109.788 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -127.85 144.57 51.09 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.896 0.379 . . . . 2.42 110.939 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -100.58 123.8 45.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.977 -0.556 . . . . 1.83 110.791 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CD2' HG12 ' A' ' 101' ' ' ILE . 88.9 m-85 -132.94 153.57 51.28 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.695 -0.684 . . . . 0.97 109.348 177.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -70.92 141.73 87.19 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.562 -0.29 . . . . 0.81 110.228 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.8 -3.29 6.6 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.722 2.282 . . . . 0.73 113.426 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 p -113.6 8.19 17.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 0.89 110.677 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -82.8 172.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.683 -0.69 . . . . 1.37 109.8 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.552 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 43.9 p -104.29 148.9 25.83 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.99 0.424 . . . . 0.32 110.755 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.51 HD13 HD12 ' A' ' 101' ' ' ILE . 41.2 mm -59.65 -24.15 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.536 -0.756 . . . . 0.24 109.442 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.21 -39.31 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 0.71 110.062 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.552 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.4 mm-40 -65.93 -36.83 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.7 109.851 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.51 HD12 HD13 ' A' ' 98' ' ' ILE . 45.1 mt -64.25 -48.83 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.515 -0.766 . . . . 0.21 110.4 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.651 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 89.2 mttt -65.59 -43.49 89.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.706 -0.679 . . . . 0.94 110.893 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -59.08 -27.22 65.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.83 110.562 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 59.8 t-80 -79.45 -38.16 35.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.56 -0.746 . . . . 1.21 109.693 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.414 HD12 HG21 ' A' ' 117' ' ' ILE . 54.1 mt -68.49 -30.32 69.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.66 -0.496 . . . . 0.18 109.66 177.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 102' ' ' LYS . 74.4 mt -66.45 -45.34 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.17 110.088 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -73.88 -12.47 60.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.767 -0.651 . . . . 0.61 111.505 -173.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 15.7 pt-20 -112.13 22.02 15.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.742 0.306 . . . . 0.42 111.053 175.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 57.31 39.16 28.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.762 -0.654 . . . . 1.86 112.721 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 74.0 mmtt -101.02 -18.78 16.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.201 -0.454 . . . . 1.22 110.2 175.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 117' ' ' ILE . . . -152.82 176.33 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.218 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t -96.57 -50.84 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 1.23 111.259 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -137.94 168.64 19.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.34 -0.144 . . . . 1.47 111.089 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 18.8 pt -60.83 -48.24 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 111.879 0.326 . . . . 0.26 111.879 -175.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.1 t -72.91 -11.63 60.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.72 0.295 . . . . 1.5 111.59 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 46.8 mm-40 -78.84 -4.03 47.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.848 0.832 . . . . 0.8 109.334 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.414 HG21 HD12 ' A' ' 105' ' ' LEU . 53.7 mt -116.12 128.69 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 113.58 -1.646 . . . . 0.26 108.537 174.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.573 ' HD3' HG13 ' A' ' 125' ' ' VAL . 2.3 tmmm? -137.05 115.26 11.67 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.822 -0.751 . . . . 1.01 110.538 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 144' ' ' ILE . 56.4 mt -91.73 146.57 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.437 -0.801 . . . . 0.73 109.961 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 145' ' ' THR . 4.2 mp -129.26 136.19 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.977 -0.379 . . . . 0.23 109.977 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 tt -115.55 108.59 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.615 -0.883 . . . . 1.36 108.615 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' LYS . 61.1 tttp 64.56 28.8 13.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.793 0.806 . . . . 2.47 109.824 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.08 -12.47 67.62 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.621 -0.718 . . . . 0.47 112.412 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -73.31 120.72 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.733 0.301 . . . . 1.94 110.541 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.573 HG13 ' HD3' ' A' ' 118' ' ' LYS . 51.1 t -63.29 120.96 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.608 -0.724 . . . . 0.3 111.15 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 119' ' ' LEU . 29.0 mt -99.14 120.44 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.79 -0.641 . . . . 0.31 109.788 177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -72.75 170.53 14.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.211 -0.449 . . . . 1.67 111.307 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.14 -47.65 74.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.223 -0.444 . . . . 0.45 112.04 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -109.56 29.52 7.49 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.45 0.907 . . . . 1.91 113.45 -172.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -69.74 139.42 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.155 -0.341 . . . . 0.39 110.292 177.274 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 51.3 m-85 -88.57 141.75 28.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.294 . . . . 0.47 110.839 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.7 -16.92 62.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.274 -0.421 . . . . 0.28 111.056 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 p -70.07 -26.25 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.105 0.478 . . . . 1.25 110.644 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -83.82 -36.85 23.19 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.235 -0.654 . . . . 1.93 109.235 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 29.9 mt -70.73 -50.83 32.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.033 -0.985 . . . . 0.42 111.022 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt 59.82 75.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.629 -0.714 . . . . 2.87 110.22 -174.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 t -75.23 101.99 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.48 109.34 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.9 p -83.54 155.15 65.86 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.113 -0.494 . . . . 0.88 111.168 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.79 -44.88 21.44 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.014 2.476 . . . . 0.93 113.57 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.57 58.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.505 -0.316 . . . . 0.89 111.782 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -109.33 38.49 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.0 0.429 . . . . 1.1 110.45 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.6 p -85.1 -11.19 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.039 -0.528 . . . . 1.23 111.492 -176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 77' ' ' THR . 33.7 m -80.97 102.08 9.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.402 0.62 . . . . 0.48 110.055 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.461 ' CG2' HD22 ' A' ' 119' ' ' LEU . 17.5 mm -99.74 143.01 14.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.447 -0.797 . . . . 0.27 109.804 -176.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 7.9 m -86.34 107.72 18.12 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.072 -0.344 . . . . 0.21 110.072 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 148' ' ' ILE . 8.3 p -103.83 118.33 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 122.18 0.99 . . . . 0.2 110.772 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 58.8 mtt -105.39 107.55 18.59 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.849 -1.069 . . . . 1.62 109.815 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.498 HG13 HG22 ' A' ' 146' ' ' VAL . 68.0 mt -129.04 141.84 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.19 110.567 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -132.67 95.84 19.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 123.272 0.358 . . . . 1.18 110.15 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--N 1.344 0.29 0 C-N-CA 123.313 2.675 . . . . 0.78 112.372 -178.516 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 121.05 0.452 . . . . 0.54 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -99.59 96.17 7.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.338 -0.615 . . . . 0.26 109.338 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.9 mt -82.74 99.61 9.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.97 -0.559 . . . . 0.72 110.054 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HD3' HG23 ' A' ' 81' ' ' ILE . 6.1 tmmm? -91.6 121.7 33.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 1.39 110.419 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.481 ' HB2' HG13 ' A' ' 146' ' ' VAL . 85.4 tttt -116.15 118.39 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.4 111.476 -174.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.431 HG23 ' HD3' ' A' ' 79' ' ' LYS . 7.9 pt -126.39 43.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.348 0.594 . . . . 0.64 111.267 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 85' ' ' LYS . 29.0 mm-40 -114.69 -85.92 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 1.22 111.285 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.68 133.61 3.19 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 110.561 -0.163 . . . . 0.6 110.561 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -82.84 13.31 33.51 Favored 'Cis proline' 0 C--N 1.346 0.396 0 C-N-CA 123.976 -1.26 . . . . 0.77 112.046 -3.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 82' ' ' GLN . 9.7 mtmp? 74.44 143.63 0.07 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.409 -0.814 . . . . 1.96 112.09 175.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.464 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 2.6 p90 -178.83 -177.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.559 -0.746 . . . . 0.32 109.373 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -144.92 126.73 15.31 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 1.32 109.707 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 pt -128.22 139.85 50.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.28 -0.418 . . . . 0.38 111.359 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -105.48 117.36 33.82 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.843 -0.428 . . . . 1.45 109.843 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -132.56 146.46 51.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.856 0.36 . . . . 2.42 110.744 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -115.2 141.95 47.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.596 -0.52 . . . . 1.83 109.596 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -139.64 149.04 43.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.877 -0.601 . . . . 0.97 109.623 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -71.93 146.12 89.95 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.161 -0.472 . . . . 0.81 110.815 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.97 -43.63 46.56 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.495 2.13 . . . . 0.73 113.576 -173.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.2 m -87.5 9.75 19.94 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.886 -0.509 . . . . 0.89 111.927 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.17 153.99 24.5 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.989 -1.115 . . . . 1.37 107.989 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.528 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.1 p -100.72 156.48 17.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.262 0.553 . . . . 0.32 111.732 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.531 HD13 HD12 ' A' ' 101' ' ' ILE . 38.7 mm -56.59 -27.88 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.3 -0.864 . . . . 0.24 110.015 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.44 -37.57 87.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.979 -0.555 . . . . 0.71 109.741 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.528 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.8 mm-40 -66.34 -38.46 87.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.7 109.98 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.531 HD12 HD13 ' A' ' 98' ' ' ILE . 43.1 mt -64.08 -45.28 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.828 -0.624 . . . . 0.21 110.134 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.554 ' HG3' HD12 ' A' ' 117' ' ' ILE . 2.4 mptm? -61.16 -53.54 55.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.368 -0.833 . . . . 0.94 111.337 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.54 -20.47 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.203 0.525 . . . . 0.83 110.474 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.657 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 53.3 t-80 -77.26 -40.28 45.22 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.688 -0.856 . . . . 1.21 108.688 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 53.5 mt -73.25 -38.08 66.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.18 110.434 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 102' ' ' LYS . 80.7 mt -57.87 -47.47 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 0.17 110.28 173.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.0 p -72.67 -23.6 60.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 0.61 111.956 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -99.9 20.51 14.16 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.011 0.434 . . . . 0.42 111.096 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 55.92 46.39 22.15 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.45 -0.795 . . . . 1.86 111.909 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 39.9 mmtm -110.26 -7.4 14.85 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.832 -0.622 . . . . 1.22 110.338 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.63 -174.75 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.29 111.783 -174.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.6 t -108.91 -66.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.814 -0.63 . . . . 1.23 110.56 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -126.32 169.68 12.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.631 -0.259 . . . . 1.47 110.608 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 102' ' ' LYS . 36.2 pt -61.6 -41.33 89.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.255 0.55 . . . . 0.26 111.052 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 114' ' ' ILE . 11.6 p -76.56 -17.01 59.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.417 0.525 . . . . 1.5 112.417 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -82.2 7.09 14.57 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.598 0.713 . . . . 0.8 110.098 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.554 HD12 ' HG3' ' A' ' 102' ' ' LYS . 69.4 mt -119.18 110.29 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 114.308 -1.314 . . . . 0.26 108.797 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.519 ' HA ' ' HE3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -98.63 113.14 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.235 -0.654 . . . . 1.01 109.235 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 144' ' ' ILE . 17.5 mt -101.27 126.81 48.04 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.847 -0.427 . . . . 0.73 109.847 175.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 mp -129.82 138.0 50.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 0.23 110.082 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.6 tp -114.7 100.71 8.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 1.36 110.018 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 56.02 41.64 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.486 -0.779 . . . . 2.47 110.854 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.0 -14.32 64.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.95 -0.643 . . . . 0.47 112.739 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -83.92 115.98 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.681 -0.305 . . . . 1.94 110.541 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.91 110.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.016 -0.538 . . . . 0.3 110.464 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.592 HD22 HD22 ' A' ' 135' ' ' LEU . 46.7 mt -83.98 135.76 34.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.321 -0.622 . . . . 0.31 109.321 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -84.25 161.63 20.43 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.918 -0.313 . . . . 1.67 110.994 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -47.47 -47.04 27.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.772 0.67 . . . . 0.45 112.427 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -116.11 28.69 8.44 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.571 0.952 . . . . 1.91 113.571 -174.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.21 141.2 58.14 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.205 -0.309 . . . . 0.39 110.541 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.528 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.0 m-85 -81.29 142.28 33.26 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.673 0.273 . . . . 0.47 110.794 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.21 -15.76 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 0.28 111.765 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.6 -22.92 62.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.058 0.456 . . . . 1.25 110.436 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -91.17 -22.8 20.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.791 -0.64 . . . . 1.93 109.822 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.592 HD22 HD22 ' A' ' 126' ' ' LEU . 34.1 mt -83.4 -53.79 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.372 -0.831 . . . . 0.42 110.486 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 58.75 70.08 0.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.544 -0.753 . . . . 2.87 111.06 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.1 t -80.45 102.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.48 110.223 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.5 p -84.3 160.28 57.41 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.626 -0.715 . . . . 0.88 111.175 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -46.27 -48.15 13.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.274 2.65 . . . . 0.93 113.953 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.23 -17.62 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 0.89 111.692 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.54 27.68 9.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 1.1 110.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.406 ' O ' HG12 ' A' ' 144' ' ' ILE . 29.5 t -73.12 -16.98 61.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.749 -0.66 . . . . 1.23 111.362 -175.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.7 m -69.3 103.21 1.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.345 0.593 . . . . 0.48 111.233 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 119' ' ' LEU . 29.9 mm -106.49 141.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.561 -0.745 . . . . 0.27 109.541 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.1 m -96.15 117.66 31.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.409 -0.589 . . . . 0.21 109.409 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.565 HG22 HG13 ' A' ' 148' ' ' ILE . 11.6 p -116.53 111.69 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.116 0.96 . . . . 0.2 110.943 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 78.3 mtp -97.92 102.15 13.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.214 -0.903 . . . . 1.62 109.3 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.565 HG13 HG22 ' A' ' 146' ' ' VAL . 52.4 mt -120.46 137.86 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 121.044 -0.263 . . . . 0.19 111.051 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.522 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 10.6 mmmm -127.32 107.23 21.39 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.753 -0.832 . . . . 1.18 108.753 172.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo . . . . . 0 C--O 1.234 0.278 0 C-N-CA 122.868 2.379 . . . . 0.78 112.733 -176.744 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.24 -0.282 . . . . 0.54 110.24 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 m -98.72 92.51 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.069 0.462 . . . . 0.26 110.321 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.487 HD23 HD21 ' A' ' 119' ' ' LEU . 6.8 mp -79.47 107.97 12.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.646 -0.706 . . . . 0.72 110.507 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -102.04 120.6 40.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.208 -0.451 . . . . 1.39 110.524 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.0 tttt -102.41 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 0.4 111.163 -173.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 pt -112.31 40.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 0.64 111.536 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -115.84 -90.81 0.54 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.22 111.39 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -165.19 136.09 3.11 Favored Pre-proline 0 C--N 1.332 -0.177 0 N-CA-C 110.469 -0.197 . . . . 0.6 110.469 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.87 13.71 23.49 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.536 -1.443 . . . . 0.77 112.317 -2.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 73.52 145.68 0.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.282 -0.872 . . . . 1.96 111.504 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.452 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -174.41 -177.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.32 109.843 177.16 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.6 m -142.48 123.5 14.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.909 -0.404 . . . . 1.32 109.909 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.445 HG13 ' HB2' ' A' ' 78' ' ' LEU . 20.6 pt -131.36 145.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.903 0.382 . . . . 0.38 110.852 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.05 118.67 34.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.242 -0.435 . . . . 1.45 109.829 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -129.71 127.02 39.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.319 -0.4 . . . . 2.42 110.627 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.43 146.13 28.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.362 -0.381 . . . . 1.83 110.16 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.494 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.6 m-85 -147.2 172.84 13.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.854 -0.612 . . . . 0.97 110.269 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.3 m -81.36 141.25 49.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.083 -0.508 . . . . 0.81 109.978 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.25 -16.46 51.18 Favored 'Trans proline' 0 C--O 1.219 -0.428 0 C-N-CA 123.077 2.518 . . . . 0.73 113.687 -175.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -103.89 9.96 36.56 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.653 -0.419 . . . . 0.89 111.337 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' A' ' 100' ' ' GLN . 13.5 t0 -86.62 167.91 14.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.357 -0.609 . . . . 1.37 109.357 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.458 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.9 p -105.75 153.51 21.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.302 0.573 . . . . 0.32 111.689 -176.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.437 HD13 HD12 ' A' ' 101' ' ' ILE . 45.4 mm -59.02 -26.73 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.201 -0.909 . . . . 0.24 110.375 174.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.81 -38.5 82.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.71 109.814 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.512 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 28.2 mm-40 -65.44 -40.47 93.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.863 0.363 . . . . 0.7 110.097 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.494 HG12 ' CE2' ' A' ' 92' ' ' PHE . 48.3 mt -64.46 -47.09 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.21 110.381 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 114' ' ' ILE . 92.0 mttt -65.47 -45.9 81.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.607 -0.724 . . . . 0.94 111.454 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -59.5 -27.85 66.51 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.287 0.565 . . . . 0.83 110.289 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 48.3 t-80 -76.14 -42.3 47.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.376 -0.829 . . . . 1.21 109.218 -175.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 117' ' ' ILE . 42.0 mt -63.44 -35.92 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.969 -0.56 . . . . 0.18 110.019 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.497 HD11 ' N ' ' A' ' 114' ' ' ILE . 76.0 mt -63.16 -46.77 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.17 110.3 172.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.8 p -68.54 -16.28 63.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.921 -0.581 . . . . 0.61 111.585 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.9 pt-20 -108.57 19.65 19.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.97 0.415 . . . . 0.42 110.693 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 58.3 35.51 24.94 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.523 -0.762 . . . . 1.86 112.903 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.496 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 75.8 mmtt -101.13 -10.13 20.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.347 -0.388 . . . . 1.22 110.62 177.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.31 173.02 17.48 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.849 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.5 t -92.74 -64.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 1.23 110.576 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -129.18 168.08 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.945 -0.391 . . . . 1.47 109.945 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.497 ' N ' HD11 ' A' ' 106' ' ' ILE . 30.3 pt -57.76 -42.39 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.436 . . . . 0.26 111.142 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 p -77.88 -9.52 59.1 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.648 0.61 . . . . 1.5 112.648 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -83.03 -2.76 56.15 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.964 0.888 . . . . 0.8 109.087 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.441 HD13 HD12 ' A' ' 105' ' ' LEU . 64.8 mt -106.86 111.36 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 113.825 -1.534 . . . . 0.26 109.159 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 147' ' ' MET . 0.2 OUTLIER -98.01 112.11 24.17 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.32 -0.993 . . . . 1.01 108.32 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.487 HD21 HD23 ' A' ' 78' ' ' LEU . 14.6 mt -104.95 129.62 53.31 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.751 0.31 . . . . 0.73 110.224 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.34 138.7 49.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.971 -0.559 . . . . 0.23 109.845 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.0 tt -113.19 100.33 8.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.495 -0.928 . . . . 1.36 108.495 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 52.3 40.8 29.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.312 -0.858 . . . . 2.47 110.588 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.51 -21.57 43.53 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.653 -0.703 . . . . 0.47 113.053 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -74.71 117.07 16.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.862 0.363 . . . . 1.94 110.969 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.05 119.55 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.723 -0.671 . . . . 0.3 110.947 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.555 HD22 HD22 ' A' ' 135' ' ' LEU . 37.2 mt -96.38 121.43 38.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.434 -0.58 . . . . 0.31 109.434 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -74.58 -177.97 3.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 1.67 111.332 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -60.47 -53.38 58.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.45 112.217 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -115.25 29.28 8.13 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.927 0.714 . . . . 1.91 112.927 -173.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -65.77 132.55 49.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.62 0.248 . . . . 0.39 110.549 178.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.455 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 65.1 m-85 -77.29 142.06 39.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.796 0.331 . . . . 0.47 110.861 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.52 -15.74 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 0.28 111.193 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -70.86 -27.26 63.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.151 0.501 . . . . 1.25 110.293 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.22 -31.15 25.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.333 -0.617 . . . . 1.93 109.333 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.555 HD22 HD22 ' A' ' 126' ' ' LEU . 25.5 mt -75.26 -53.76 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.927 -1.033 . . . . 0.42 110.897 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 60.9 75.18 0.42 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.88 -0.6 . . . . 2.87 110.758 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.89 101.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 0.48 109.505 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 72.1 p -76.35 153.06 83.98 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.15 -0.477 . . . . 0.88 110.451 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.2 -7.77 7.19 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.49 2.794 . . . . 0.93 113.213 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -99.85 -35.06 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.948 0.404 . . . . 0.89 110.575 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -104.07 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 1.1 110.346 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.6 m -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 1.23 110.944 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.5 m -75.22 105.14 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 0.48 110.446 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.432 HG21 HD22 ' A' ' 119' ' ' LEU . 35.0 mm -103.28 131.47 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.75 -0.659 . . . . 0.27 110.093 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.3 m -89.09 115.64 26.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.445 -0.576 . . . . 0.21 109.445 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.622 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 11.8 p -115.22 114.21 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-O 122.2 1.0 . . . . 0.2 110.727 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.475 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 63.4 mtt -102.24 101.13 11.39 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.283 -0.871 . . . . 1.62 109.256 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.62 HG13 HG22 ' A' ' 146' ' ' VAL . 75.4 mt -115.02 134.75 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.554 . . . . 0.19 110.434 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -126.38 97.28 34.46 Favored Pre-proline 0 C--N 1.316 -0.859 0 N-CA-C 109.349 -0.611 . . . . 1.18 109.349 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 C--N 1.344 0.298 0 C-N-CA 122.951 2.434 . . . . 0.78 112.211 -178.225 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.002 0.429 . . . . 3.72 110.407 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.432 HG12 HD11 ' A' ' 76' ' ' LEU . 19.5 t -77.28 88.15 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.513 0.673 . . . . 1.18 109.956 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.449 ' C ' HD12 ' A' ' 76' ' ' LEU . 82.5 t60 -104.6 124.67 49.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.228 -0.896 . . . . 3.06 110.467 -174.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 90' ' ' HIS . 7.2 mp -126.81 114.9 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.54 111.242 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 m -98.94 107.45 19.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.546 -0.539 . . . . 0.26 109.546 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.448 ' HB2' HG13 ' A' ' 88' ' ' ILE . 17.2 mt -87.78 105.02 17.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.019 -0.363 . . . . 0.72 110.019 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -100.17 117.28 34.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.997 0.427 . . . . 1.39 110.635 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 83.3 tttt -101.03 109.3 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.4 110.998 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.8 pt -112.61 30.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.037 -0.529 . . . . 0.64 111.402 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -104.15 -89.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.366 -0.379 . . . . 1.22 111.774 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . . . -164.05 136.66 3.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 110.392 -0.225 . . . . 0.6 110.392 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.24 16.6 18.68 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.926 -1.281 . . . . 0.77 111.916 -2.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 72.56 143.51 0.06 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.256 -0.883 . . . . 1.96 112.311 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.489 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 1.6 p90 -175.08 -177.52 1.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.354 -0.839 . . . . 0.32 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 p -138.17 120.1 15.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.823 0.345 . . . . 1.32 110.072 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.448 HG13 ' HB2' ' A' ' 78' ' ' LEU . 27.8 pt -127.52 175.92 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.38 110.249 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -149.79 146.26 27.07 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.264 -0.426 . . . . 1.45 109.87 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 76' ' ' LEU . 11.1 p80 -144.46 152.64 40.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 2.42 110.597 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.24 122.09 30.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 1.83 109.945 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -137.65 161.44 36.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.424 -0.353 . . . . 0.97 110.145 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -84.95 148.41 50.75 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.852 -0.613 . . . . 0.81 109.764 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -51.71 -28.86 31.31 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.994 3.129 . . . . 0.73 114.867 -168.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.5 m -81.06 -2.06 46.65 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.815 -0.553 . . . . 0.89 112.288 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.37 163.43 27.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.953 -0.758 . . . . 1.37 108.953 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.614 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 74.5 p -118.3 155.86 29.88 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 0.32 111.427 -176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.509 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 30.6 mm -53.17 -34.36 21.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.516 -0.765 . . . . 0.24 110.571 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.71 110.867 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.614 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 75.7 mm-40 -69.28 -38.76 78.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.026 0.441 . . . . 0.7 109.844 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 98' ' ' ILE . 44.9 mt -63.08 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 0.21 109.713 174.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HG3' HD12 ' A' ' 117' ' ' ILE . 2.4 mptm? -62.96 -51.64 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 0.94 111.432 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -54.07 -27.05 30.09 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.83 110.268 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.664 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 61.1 t-80 -76.29 -44.51 36.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.324 -0.853 . . . . 1.21 109.298 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.432 HD12 HG21 ' A' ' 117' ' ' ILE . 65.1 mt -66.28 -31.48 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 0.18 110.09 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 114' ' ' ILE . 74.2 mt -65.8 -48.71 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.17 110.403 172.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.6 p -68.72 -23.7 64.38 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.869 -0.605 . . . . 0.61 111.468 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 14.5 pt-20 -99.26 13.28 33.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.102 0.477 . . . . 0.42 111.048 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.84 44.6 28.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.28 -0.873 . . . . 1.86 112.311 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.475 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 30.5 mmtp -104.94 -1.29 26.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.567 -0.742 . . . . 1.22 109.15 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -162.28 -179.89 7.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.868 -1.06 . . . . 0.29 110.778 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.2 m -103.16 -60.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.521 . . . . 1.23 110.916 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -130.72 169.44 15.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.622 -0.263 . . . . 1.47 110.963 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.477 ' N ' HD11 ' A' ' 106' ' ' ILE . 38.9 pt -59.67 -42.83 89.79 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 121.265 0.555 . . . . 0.26 111.092 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 114' ' ' ILE . 5.1 p -74.35 -23.93 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.739 0.644 . . . . 1.5 112.739 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -74.34 -0.65 17.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.494 0.664 . . . . 0.8 110.296 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.542 HD12 ' HG3' ' A' ' 102' ' ' LYS . 56.6 mt -111.84 116.93 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.527 -1.215 . . . . 0.26 109.323 176.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -103.72 113.59 27.21 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.536 -0.542 . . . . 1.01 109.536 176.653 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.435 HD22 HG21 ' A' ' 144' ' ' ILE . 17.6 mt -100.66 123.82 45.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.538 -0.542 . . . . 0.73 109.538 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -122.15 134.17 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.23 110.304 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.4 HD22 HG22 ' A' ' 137' ' ' VAL . 52.3 tp -114.98 110.76 20.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.902 -0.59 . . . . 1.36 109.606 176.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.9 tptt 62.59 31.69 16.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 2.47 110.277 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.81 -5.04 85.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.973 -0.632 . . . . 0.47 112.649 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -83.71 125.27 31.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.728 0.299 . . . . 1.94 110.348 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.86 112.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.856 -0.611 . . . . 0.3 110.657 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 135' ' ' LEU . 27.6 mt -86.31 139.96 30.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.222 -0.659 . . . . 0.31 109.222 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -84.45 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.985 -0.286 . . . . 1.67 110.944 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -46.72 -47.47 20.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.773 0.671 . . . . 0.45 112.477 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -115.12 29.67 7.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.434 0.902 . . . . 1.91 113.434 -174.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 129.5 39.95 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.097 -0.377 . . . . 0.39 110.687 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 29.3 m-85 -74.5 142.81 44.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.808 0.337 . . . . 0.47 111.001 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.71 -15.36 61.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 0.28 111.628 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.9 m -76.42 -20.54 56.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 1.25 110.382 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.013 -0.736 . . . . 1.93 109.013 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 126' ' ' LEU . 59.8 mt -71.16 -52.81 17.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.102 -0.954 . . . . 0.42 110.341 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 58.33 58.55 3.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.897 -0.592 . . . . 2.87 110.417 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.4 HG22 HD22 ' A' ' 121' ' ' LEU . 4.8 t -71.32 102.97 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 0.48 110.159 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.5 p -76.52 145.26 75.24 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.451 -0.795 . . . . 0.88 110.395 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -50.37 -25.81 14.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.57 2.847 . . . . 0.93 113.272 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.56 -19.7 57.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.368 -0.378 . . . . 0.89 111.342 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -125.8 39.46 3.95 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.546 -0.539 . . . . 1.1 109.546 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.8 p -78.85 -8.27 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.73 -0.668 . . . . 1.23 112.532 -171.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 36.9 m -76.2 111.26 11.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.48 110.922 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.435 HG21 HD22 ' A' ' 119' ' ' LEU . 29.3 mm -107.54 136.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.783 -0.644 . . . . 0.27 110.075 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 9.4 m -92.42 111.83 23.55 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.233 -0.654 . . . . 0.21 109.233 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.585 HG22 HG13 ' A' ' 148' ' ' ILE . 14.0 p -107.32 113.01 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.151 0.977 . . . . 0.2 110.649 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 62.5 mtt -102.32 101.29 11.54 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.225 -0.898 . . . . 1.62 109.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.585 HG13 HG22 ' A' ' 146' ' ' VAL . 63.0 mt -118.15 137.31 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 CA-C-N 116.209 -0.451 . . . . 0.19 110.616 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.3 mmmm -126.62 100.45 28.5 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.365 -0.605 . . . . 1.18 109.365 173.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.49 163.3 30.36 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.905 2.403 . . . . 0.78 112.16 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -70.84 88.55 0.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.798 0.809 . . . . 3.2 110.68 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.05 78.8 8.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.571 -0.74 . . . . 5.57 109.622 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -10.94 26.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.373 -0.831 . . . . 5.3 111.548 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 61.6 38.3 15.55 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.41 -0.814 . . . . 7.87 112.596 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -85.74 -54.91 4.24 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.655 -0.418 . . . . 8.16 110.475 177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -77.95 -26.06 48.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.123 0.487 . . . . 9.6 110.06 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -76.31 -25.85 55.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.771 -0.649 . . . . 11.32 111.234 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -99.63 119.7 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.998 0.428 . . . . 13.83 110.121 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.316 -0.849 . . . . 15.61 109.545 178.774 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.668 0.27 . . . . 3.72 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.23 147.29 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.931 -0.396 . . . . 1.18 109.931 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -108.86 127.43 54.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.565 0.221 . . . . 3.06 110.796 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -113.19 116.65 30.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.252 -0.431 . . . . 0.54 110.367 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.5 m -94.54 96.61 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.137 0.494 . . . . 0.26 109.793 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -83.03 100.92 10.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.638 -0.71 . . . . 0.72 110.076 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -90.88 116.82 29.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.006 0.431 . . . . 1.39 110.134 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 86.8 tttt -99.13 110.73 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.849 -0.614 . . . . 0.4 110.502 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.8 pt -112.62 28.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 0.64 111.757 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -106.09 -91.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 1.22 111.396 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.53 138.16 2.88 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 110.366 -0.235 . . . . 0.6 110.366 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -80.53 12.8 24.14 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.697 -1.376 . . . . 0.77 112.192 -1.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm 72.1 148.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.243 -0.89 . . . . 1.96 112.665 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -178.9 -177.24 0.48 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.16 -0.927 . . . . 0.32 109.586 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -140.99 119.09 11.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.77 0.319 . . . . 1.32 110.192 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.36 150.21 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.356 -0.384 . . . . 0.38 111.166 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -120.41 117.3 27.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.174 -0.467 . . . . 1.45 109.849 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -133.44 132.68 41.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.155 -0.475 . . . . 2.42 109.963 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.89 142.29 38.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.349 0.595 . . . . 1.83 110.919 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CE1' HG12 ' A' ' 101' ' ' ILE . 45.3 m-85 -140.49 173.01 11.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.108 -0.951 . . . . 0.97 108.939 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.1 m -104.61 150.68 38.83 Favored Pre-proline 0 C--N 1.315 -0.914 0 O-C-N 122.116 -0.365 . . . . 0.81 110.123 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.18 -38.77 33.6 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.753 2.302 . . . . 0.73 113.806 -172.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -80.1 -2.2 43.43 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.854 -0.529 . . . . 0.89 112.25 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -76.45 161.48 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.116 -0.698 . . . . 1.37 109.116 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 p -108.17 156.21 19.57 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.839 0.352 . . . . 0.32 110.698 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.585 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 36.0 mm -57.57 -29.24 33.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 0.24 110.216 173.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.28 -32.08 71.91 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.386 -0.37 . . . . 0.71 110.629 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -64.41 -42.19 96.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.7 109.296 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.634 HG12 ' CE1' ' A' ' 92' ' ' PHE . 48.7 mt -66.76 -44.16 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.136 -0.938 . . . . 0.21 110.1 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 31.1 mmtp -58.07 -57.7 11.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.22 -0.9 . . . . 0.94 110.967 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' A' ' 106' ' ' ILE . 64.8 mm-40 -60.57 -24.06 65.14 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.83 111.054 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.703 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 50.3 t-80 -72.89 -46.79 50.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.95 -0.759 . . . . 1.21 108.95 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 117' ' ' ILE . 65.4 mt -64.51 -36.27 83.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.18 110.283 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.496 HD11 ' N ' ' A' ' 114' ' ' ILE . 79.4 mt -60.02 -48.01 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.968 0.413 . . . . 0.17 110.523 173.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.4 p -68.18 -23.46 64.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 0.61 111.656 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.703 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.5 pt-20 -101.66 18.75 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 0.42 111.197 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.82 28.86 17.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.729 -0.669 . . . . 1.86 112.63 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.548 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.0 mmtm -88.99 -23.45 22.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.333 -0.394 . . . . 1.22 110.308 177.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.34 167.47 27.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 0.29 111.31 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.1 m -86.55 -55.47 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 1.23 111.395 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.505 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 68.0 m80 -133.52 169.12 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.707 -0.224 . . . . 1.47 110.777 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.496 ' N ' HD11 ' A' ' 106' ' ' ILE . 20.3 pt -58.67 -47.68 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 112.345 0.498 . . . . 0.26 112.345 -174.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 m -83.86 -5.63 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.971 0.36 . . . . 1.5 111.971 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 16.8 mm-40 -75.18 -6.89 52.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.968 0.89 . . . . 0.8 108.945 173.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.524 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 46.8 mt -105.52 112.64 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 113.466 -1.697 . . . . 0.26 108.742 173.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 147' ' ' MET . 0.4 OUTLIER -99.44 113.06 25.2 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.093 -0.706 . . . . 1.01 109.093 177.373 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 98' ' ' ILE . 29.4 mt -102.51 131.23 49.36 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.805 0.336 . . . . 0.73 110.311 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 mp -133.88 142.68 47.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.986 -0.552 . . . . 0.23 109.878 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.9 tp -114.28 99.28 7.48 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.539 -0.541 . . . . 1.36 109.539 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 53.12 42.46 32.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.481 -0.781 . . . . 2.47 111.212 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.95 -21.91 42.64 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.499 -0.773 . . . . 0.47 112.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -75.87 116.67 16.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.822 0.344 . . . . 1.94 110.579 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.93 120.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.974 -0.557 . . . . 0.3 110.909 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.599 HD22 HD22 ' A' ' 135' ' ' LEU . 32.5 mt -96.77 129.64 44.16 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.89 -0.781 . . . . 0.31 108.89 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -79.97 166.95 21.09 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.038 -0.265 . . . . 1.67 111.261 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -57.27 -46.85 82.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.923 0.342 . . . . 0.45 111.923 -174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -115.92 29.99 7.63 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.131 0.491 . . . . 1.91 111.759 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 135.47 43.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.987 -0.446 . . . . 0.39 109.998 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 61.7 m-85 -73.02 144.24 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.47 110.701 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.66 -15.04 61.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.28 111.766 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.95 -32.04 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 1.25 110.778 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.99 -21.54 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.809 -0.632 . . . . 1.93 110.24 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.599 HD22 HD22 ' A' ' 126' ' ' LEU . 23.0 mt -89.79 -52.8 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.576 -0.738 . . . . 0.42 110.126 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 136' ' ' LYS . 4.4 ttmp? 60.36 77.32 0.33 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.236 -0.893 . . . . 2.87 111.272 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.64 102.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.48 109.635 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 31.8 p -75.86 145.21 77.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.074 -0.512 . . . . 0.88 110.016 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.94 -22.19 37.11 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.064 2.509 . . . . 0.93 113.057 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.02 31.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.89 110.837 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.12 41.13 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.236 -0.653 . . . . 1.1 109.236 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.3 p -81.93 6.18 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.467 -0.788 . . . . 1.23 112.461 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 17.6 m -78.68 109.81 13.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.102 0.477 . . . . 0.48 110.686 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.404 HG21 HD22 ' A' ' 119' ' ' LEU . 37.4 mm -111.21 142.4 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.872 -0.604 . . . . 0.27 110.111 -178.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 28.8 m -96.93 118.86 34.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.486 -0.561 . . . . 0.21 109.486 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 148' ' ' ILE . 14.6 p -118.93 115.43 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 122.06 0.933 . . . . 0.2 110.858 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.415 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 57.0 mtm -101.71 101.29 11.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.3 -0.863 . . . . 1.62 109.468 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 146' ' ' VAL . 53.4 mt -113.58 137.04 48.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.393 -0.367 . . . . 0.19 110.083 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 88.8 24.92 Favored Pre-proline 0 C--N 1.318 -0.793 0 N-CA-C 108.971 -0.751 . . . . 1.18 108.971 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.46 155.46 68.72 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.734 2.289 . . . . 0.78 112.767 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -105.88 73.78 1.02 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.969 -0.56 . . . . 3.2 110.134 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 50.3 tp -94.86 -48.39 6.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 5.57 109.766 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -83.25 142.07 31.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.616 -0.72 . . . . 5.3 109.777 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -100.03 121.37 41.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.984 0.421 . . . . 7.87 110.159 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -111.85 11.06 20.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.926 0.343 . . . . 8.16 111.926 -174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -95.2 12.4 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.193 0.521 . . . . 9.6 110.504 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -85.81 -18.1 33.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.422 -0.808 . . . . 11.32 109.293 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -135.8 122.05 20.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.448 -0.796 . . . . 13.83 109.418 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.776 -0.63 . . . . 15.61 110.429 -179.624 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 93.4 mmm . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.989 0.423 . . . . 3.72 110.472 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.8 t -101.03 96.77 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.751 -0.463 . . . . 1.18 109.751 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -103.52 128.78 50.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.25 -0.432 . . . . 3.06 110.752 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.57 117.37 32.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.309 -0.405 . . . . 0.54 110.645 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 48.9 m -89.79 93.94 9.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.749 -0.463 . . . . 0.26 109.749 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HB2' HG13 ' A' ' 88' ' ' ILE . 14.2 mt -81.98 97.35 8.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.976 -0.556 . . . . 0.72 109.554 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.78 116.37 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.39 110.598 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 87.4 tttt -98.65 111.1 23.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 0.4 110.769 -176.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.9 pt -114.24 20.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.891 -0.595 . . . . 0.64 111.988 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -101.54 -88.71 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.723 -0.391 . . . . 1.22 111.492 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.5 143.01 2.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 122.404 -0.185 . . . . 0.6 110.668 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -76.53 13.46 9.53 Favored 'Cis proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.953 -1.27 . . . . 0.77 113.232 -7.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.6 mttp 74.67 147.13 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.733 0.813 . . . . 1.96 112.446 173.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -173.73 178.01 2.35 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.73 -0.668 . . . . 0.32 109.941 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.8 p -136.38 119.52 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.706 0.289 . . . . 1.32 110.417 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.429 HG13 ' HB2' ' A' ' 78' ' ' LEU . 24.6 pt -132.81 143.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.38 110.829 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -119.69 121.44 39.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.366 -0.379 . . . . 1.45 109.996 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -132.82 131.29 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.038 -0.528 . . . . 2.42 110.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -105.23 142.61 34.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.833 0.349 . . . . 1.83 110.213 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.63 173.23 11.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.126 -0.488 . . . . 0.97 110.522 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.1 m -81.27 140.63 49.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.81 110.024 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -63.56 -7.92 13.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.366 2.711 . . . . 0.73 114.66 -173.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -114.23 10.42 17.24 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.807 -0.558 . . . . 0.89 111.378 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.51 171.32 13.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.691 -0.485 . . . . 1.37 109.691 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 p -109.08 147.99 31.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.024 0.44 . . . . 0.32 111.286 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.536 HD13 HD12 ' A' ' 101' ' ' ILE . 41.8 mm -55.85 -24.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.414 -0.812 . . . . 0.24 110.532 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.22 -39.48 79.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 0.71 110.452 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 51.6 mm-40 -71.46 -34.11 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.993 0.425 . . . . 0.7 110.121 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.536 HD12 HD13 ' A' ' 98' ' ' ILE . 38.1 mt -67.92 -45.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.21 110.041 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 81.8 mttt -64.28 -47.48 79.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.639 -0.71 . . . . 0.94 110.864 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -61.91 -23.69 66.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.015 0.436 . . . . 0.83 110.6 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.615 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 5.8 t60 -79.82 -35.91 37.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.716 -0.674 . . . . 1.21 109.457 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.417 HD12 HD13 ' A' ' 117' ' ' ILE . 54.7 mt -71.41 -31.93 67.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.632 -0.507 . . . . 0.18 109.632 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.537 HD11 ' N ' ' A' ' 114' ' ' ILE . 74.0 mt -63.5 -45.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.172 0.51 . . . . 0.17 110.144 171.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.7 p -71.06 -27.09 63.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.761 -0.654 . . . . 0.61 111.754 -173.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.6 pt-20 -95.81 18.01 14.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.897 0.379 . . . . 0.42 110.845 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 56.33 37.34 28.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.642 -0.708 . . . . 1.86 112.499 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.5 mmtp -99.96 -11.64 20.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.066 0.46 . . . . 1.22 109.934 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.94 167.71 26.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.419 -0.81 . . . . 0.29 110.671 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.4 m -92.05 -56.54 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 1.23 111.088 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -135.27 165.85 24.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.277 -0.638 . . . . 1.47 109.277 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.567 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 28.5 pt -57.57 -46.3 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.023 0.44 . . . . 0.26 111.354 -176.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' HG13 ' A' ' 114' ' ' ILE . 47.9 t -74.22 -5.98 45.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.678 0.621 . . . . 1.5 112.678 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.39 -6.66 59.53 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.596 -0.89 . . . . 0.8 108.596 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.417 HD13 HD12 ' A' ' 105' ' ' LEU . 62.0 mt -105.6 119.33 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 113.952 -1.476 . . . . 0.26 109.664 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -111.43 113.07 25.26 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.399 -0.593 . . . . 1.01 109.399 175.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.444 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 33.9 mt -100.75 130.32 46.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.982 -0.377 . . . . 0.73 109.982 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.22 131.35 48.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.928 -0.397 . . . . 0.23 109.928 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 144' ' ' ILE . 1.8 tm? -124.78 111.46 15.56 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.508 -0.552 . . . . 1.36 109.508 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp 60.93 40.85 15.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.641 -0.709 . . . . 2.47 110.714 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.0 4.12 88.54 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.844 -0.617 . . . . 0.47 112.849 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -93.86 122.12 36.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 1.94 110.921 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 72.8 t -70.12 109.14 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.752 -0.658 . . . . 0.3 110.564 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 135' ' ' LEU . 21.6 mt -84.88 132.12 34.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.345 -0.613 . . . . 0.31 109.345 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -85.96 170.26 12.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.172 -0.467 . . . . 1.67 111.395 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -51.22 -44.94 61.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.991 -0.55 . . . . 0.45 111.776 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -114.57 29.6 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.028 0.751 . . . . 1.91 113.028 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.465 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.38 129.27 39.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 0.39 110.447 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 60.1 m-85 -75.12 138.73 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.428 -0.351 . . . . 0.47 110.783 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.15 -15.49 63.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.316 -0.402 . . . . 0.28 110.975 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 p -68.2 -26.42 65.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.257 -0.429 . . . . 1.25 111.027 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.72 -18.42 26.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.391 0.615 . . . . 1.93 110.05 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 126' ' ' LEU . 37.1 mt -87.64 -53.89 4.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.302 -0.863 . . . . 0.42 110.306 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 54.98 67.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.921 0.763 . . . . 2.87 110.922 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.445 ' CG1' ' HA ' ' A' ' 142' ' ' SER . 42.3 t -73.83 101.47 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.52 -0.763 . . . . 0.48 109.896 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 139' ' ' PRO . 29.7 p -91.64 164.81 22.73 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.654 -0.703 . . . . 0.88 110.312 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 138' ' ' THR . 82.2 Cg_exo -47.38 -43.82 25.97 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.781 2.32 . . . . 0.93 113.288 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.74 -19.42 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.592 -0.276 . . . . 0.89 111.685 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -118.35 31.17 6.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.614 -0.266 . . . . 1.1 111.022 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 137' ' ' VAL . 40.2 m -85.16 -4.55 59.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.111 -0.236 . . . . 1.23 111.628 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.2 m -83.1 106.35 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.023 0.44 . . . . 0.48 110.184 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.461 HD13 HD23 ' A' ' 121' ' ' LEU . 10.5 mm -106.5 136.53 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.978 -0.555 . . . . 0.27 110.091 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.7 m -88.99 114.23 25.38 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.426 -0.583 . . . . 0.21 109.426 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 148' ' ' ILE . 11.3 p -112.53 113.93 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 122.279 1.038 . . . . 0.2 111.056 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 76.6 mtp -101.87 100.98 11.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.881 -1.054 . . . . 1.62 109.134 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.589 HG13 HG22 ' A' ' 146' ' ' VAL . 39.8 mt -119.53 133.04 67.62 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 CA-C-N 116.476 -0.329 . . . . 0.19 110.18 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 11.7 mmmm -125.79 86.69 57.16 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 109.198 -0.667 . . . . 1.18 109.198 175.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -82.94 166.32 14.89 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.158 2.572 . . . . 0.78 111.514 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 17.2 m120 66.14 168.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.75 0.656 . . . . 3.2 110.082 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 74.6 mt 59.2 44.53 15.57 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.345 0.593 . . . . 5.57 109.406 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -68.57 94.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.05 -0.977 . . . . 5.3 111.406 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -98.51 -11.7 22.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.608 -0.724 . . . . 7.87 110.254 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -117.02 96.12 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.071 -0.513 . . . . 8.16 110.573 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -76.94 119.82 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 9.6 110.013 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -111.48 151.94 28.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.362 -0.381 . . . . 11.32 110.344 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 69.06 -178.56 0.22 Allowed 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.779 0.674 . . . . 13.83 110.674 -174.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.0 t60 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.389 -0.815 . . . . 15.61 109.762 -178.689 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.148 -0.316 . . . . 3.72 110.148 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 132' ' ' LEU . 12.8 t -93.99 81.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.585 0.707 . . . . 1.18 109.429 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -99.31 102.89 14.65 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.156 -0.929 . . . . 3.06 110.118 -176.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.63 115.06 27.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.809 0.338 . . . . 0.54 111.011 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.2 m -96.52 93.42 6.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.521 -0.548 . . . . 0.26 109.521 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 119' ' ' LEU . 13.9 mt -80.28 98.2 7.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.72 109.8 -175.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -89.72 112.85 24.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.891 -0.595 . . . . 1.39 110.385 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.3 tttt -93.48 111.06 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.4 110.464 -175.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 pt -111.02 33.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.085 -0.507 . . . . 0.64 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -114.68 -91.77 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.936 -0.305 . . . . 1.22 111.647 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.04 136.98 4.68 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.359 -0.237 . . . . 0.6 110.359 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.59 10.43 40.0 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.55 -1.438 . . . . 0.77 112.146 -3.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 75.79 150.37 0.11 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.998 -1.001 . . . . 1.96 112.502 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 1.5 p90 -178.71 -177.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.929 -1.032 . . . . 0.32 109.181 176.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -140.86 113.45 8.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.01 -0.367 . . . . 1.32 110.01 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 pt -116.68 132.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.38 110.853 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.06 116.16 31.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.03 0.443 . . . . 1.45 109.895 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -128.16 131.1 48.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 2.42 110.516 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -103.75 120.65 41.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.115 -0.493 . . . . 1.83 110.07 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.486 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.5 m-85 -124.41 155.1 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 0.97 110.788 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -66.12 141.27 97.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.81 110.658 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.96 -7.28 9.31 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.303 2.669 . . . . 0.73 113.966 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -112.88 7.46 18.34 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.662 -0.415 . . . . 0.89 111.589 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -81.85 169.99 16.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.026 -0.361 . . . . 1.37 110.026 176.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.6 p -107.06 156.3 18.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.009 0.433 . . . . 0.32 111.121 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.493 HG23 HD12 ' A' ' 119' ' ' LEU . 38.7 mm -59.28 -25.69 31.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.685 -0.688 . . . . 0.24 109.988 172.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.38 -39.83 84.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.705 -0.68 . . . . 0.71 110.536 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.404 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 29.5 mm-40 -61.73 -43.5 98.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.956 -0.565 . . . . 0.7 110.028 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 41.5 mt -65.15 -42.72 94.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.279 -0.873 . . . . 0.21 110.357 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.52 ' HD3' ' HB ' ' A' ' 114' ' ' ILE . 37.5 mttp -63.25 -50.04 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.631 -0.713 . . . . 0.94 111.522 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -59.9 -25.81 65.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.287 0.565 . . . . 0.83 110.479 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 64.1 t-80 -77.5 -40.24 43.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.419 -0.809 . . . . 1.21 109.605 -176.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 39.4 mt -69.98 -32.78 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.015 -0.539 . . . . 0.18 110.204 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 114' ' ' ILE . 68.4 mt -64.25 -42.74 96.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.479 0.657 . . . . 0.17 109.531 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -63.72 -40.07 95.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.8 -1.091 . . . . 0.61 111.411 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.7 pt-20 -94.76 21.02 7.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.793 0.33 . . . . 0.42 111.75 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 55.15 44.92 27.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.644 -0.707 . . . . 1.86 112.214 174.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.489 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 41.9 mmtm -107.01 -8.39 16.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.952 -0.567 . . . . 1.22 110.147 177.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -152.0 178.92 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.29 110.954 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 t -103.48 -53.32 2.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 1.23 110.019 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.445 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 44.8 m80 -136.01 171.3 14.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.879 -0.415 . . . . 1.47 109.879 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.52 ' HB ' ' HD3' ' A' ' 102' ' ' LYS . 17.7 pt -59.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 120.594 0.235 . . . . 0.26 111.574 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 114' ' ' ILE . 14.9 t -74.08 -7.34 52.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.021 0.378 . . . . 1.5 112.021 -175.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 39.2 mm-40 -80.9 3.74 21.73 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.781 0.801 . . . . 0.8 109.495 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.412 ' HA ' HG12 ' A' ' 148' ' ' ILE . 60.7 mt -114.05 106.11 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 113.939 -1.482 . . . . 0.26 109.504 177.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.439 ' NZ ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -98.06 112.84 24.64 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.21 -0.663 . . . . 1.01 109.21 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.493 HD12 HG23 ' A' ' 98' ' ' ILE . 19.3 mt -104.1 129.33 51.79 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.809 0.338 . . . . 0.73 110.235 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 mp -127.89 134.58 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 0.23 109.62 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.8 tt -113.89 102.58 10.35 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.59 -0.893 . . . . 1.36 108.59 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 62.47 32.62 16.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.668 0.747 . . . . 2.47 109.834 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.79 -18.83 56.69 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.541 -0.754 . . . . 0.47 112.579 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -73.47 124.18 25.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.579 0.228 . . . . 1.94 110.742 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.439 HG13 ' NZ ' ' A' ' 118' ' ' LYS . 55.4 t -69.16 122.04 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 0.3 111.091 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.596 HD22 HD22 ' A' ' 135' ' ' LEU . 19.2 mt -96.95 139.72 32.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.704 -0.85 . . . . 0.31 108.704 173.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -85.94 178.07 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.992 -0.373 . . . . 1.67 109.992 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.502 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 5.9 p-10 -61.32 -44.18 97.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.74 -0.209 . . . . 0.45 111.516 -177.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -115.13 27.98 9.01 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.331 0.493 . . . . 1.91 112.331 -174.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.427 HD12 HD21 ' A' ' 135' ' ' LEU . 0.2 OUTLIER -63.92 132.03 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.146 -0.316 . . . . 0.39 110.146 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 60.0 m-85 -78.35 138.67 38.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.412 . . . . 0.47 110.666 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.415 HD23 HG11 ' A' ' 74' ' ' VAL . 10.3 mp -67.01 -15.34 63.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.587 . . . . 0.28 111.588 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 p -69.71 -24.98 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.077 0.465 . . . . 1.25 110.814 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -91.07 -20.86 21.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 1.93 109.587 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.596 HD22 HD22 ' A' ' 126' ' ' LEU . 35.5 mt -83.72 -58.05 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.358 -0.837 . . . . 0.42 110.87 -177.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.67 72.43 0.53 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.712 0.633 . . . . 2.87 111.573 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 37.9 t -79.94 103.07 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.48 109.779 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.7 p -88.71 161.96 40.2 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.999 -0.546 . . . . 0.88 110.818 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.23 -46.72 21.88 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.625 2.217 . . . . 0.93 113.078 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.45 -6.79 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.89 111.957 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -126.5 31.6 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.216 0.531 . . . . 1.1 109.773 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.9 p -79.6 -17.35 54.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.566 -0.743 . . . . 1.23 111.663 -173.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 43.5 m -73.18 104.93 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 0.48 110.306 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.405 HG21 HD22 ' A' ' 119' ' ' LEU . 35.1 mm -106.19 143.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.784 -0.643 . . . . 0.27 109.843 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 m -95.19 119.16 33.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.684 -0.487 . . . . 0.21 109.684 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 7.2 p -119.68 121.75 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-O 122.115 0.96 . . . . 0.2 110.867 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.423 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 55.9 mtt -105.36 101.14 10.7 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.014 -0.993 . . . . 1.62 108.875 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.565 HG13 HG22 ' A' ' 146' ' ' VAL . 45.6 mt -119.64 137.65 52.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.33 -0.395 . . . . 0.19 110.397 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.502 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.9 mmmm -125.43 104.72 28.11 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.213 -0.662 . . . . 1.18 109.213 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -68.92 85.93 0.48 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.753 2.302 . . . . 0.78 112.24 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -68.27 82.39 0.24 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.645 . . . . 3.2 109.436 172.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.7 mt -148.28 146.37 28.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.234 -0.894 . . . . 5.57 109.536 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.82 47.16 1.21 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.103 0.478 . . . . 5.3 110.858 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -71.99 -17.83 62.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.92 0.391 . . . . 7.87 110.965 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -95.27 92.85 6.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.318 -0.401 . . . . 8.16 110.142 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -102.39 159.71 15.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.221 -0.445 . . . . 9.6 110.22 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -139.87 23.97 2.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.237 0.541 . . . . 11.32 109.749 174.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 62.95 78.86 0.28 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.019 -0.991 . . . . 13.83 111.311 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.405 -0.807 . . . . 15.61 109.901 178.008 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.2 ptp . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.809 0.338 . . . . 3.72 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 92' ' ' PHE . 15.9 t -88.24 78.25 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.455 0.645 . . . . 1.18 110.104 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -97.88 110.95 23.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.52 -0.764 . . . . 3.06 109.685 177.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.53 115.08 27.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.092 -0.504 . . . . 0.54 110.188 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 m -90.56 92.56 8.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.47 -0.567 . . . . 0.26 109.47 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.64 104.62 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.797 -0.638 . . . . 0.72 109.784 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -98.52 114.1 26.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.967 0.413 . . . . 1.39 110.42 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 84.9 tttt -98.26 105.53 17.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.663 -0.699 . . . . 0.4 110.946 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.25 40.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.598 -0.728 . . . . 0.64 110.731 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.8 mm-40 -116.49 -88.13 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.834 -0.621 . . . . 1.22 111.684 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.59 133.75 1.73 Allowed Pre-proline 0 N--CA 1.465 0.305 0 CA-C-O 120.342 0.115 . . . . 0.6 110.703 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.1 12.91 26.33 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 124.212 -1.161 . . . . 0.77 112.051 -1.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt 74.91 147.98 0.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.356 -0.838 . . . . 1.96 112.12 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.483 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.2 p90 -179.01 173.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.266 -0.879 . . . . 0.32 109.267 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 p -132.34 121.16 23.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.838 0.351 . . . . 1.32 110.362 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 pt -127.25 158.47 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 0.38 110.807 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -130.33 131.85 45.57 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.769 -0.826 . . . . 1.45 108.769 169.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -130.19 135.27 47.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.338 -0.392 . . . . 2.42 110.647 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.95 123.67 40.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.981 -0.554 . . . . 1.83 110.88 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 101' ' ' ILE . 38.5 m-85 -135.88 167.06 21.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 0.97 110.661 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -93.23 147.36 33.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.91 -0.587 . . . . 0.81 110.548 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.82 -10.06 21.13 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.22 2.613 . . . . 0.73 114.771 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -114.0 10.38 17.54 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.686 -0.634 . . . . 0.89 111.087 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.3 168.47 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.197 -0.668 . . . . 1.37 109.197 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -108.63 148.05 30.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.128 0.489 . . . . 0.32 111.075 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.546 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 28.1 mm -55.85 -27.72 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.306 -0.861 . . . . 0.24 110.538 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.64 -36.99 74.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.71 110.432 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -63.79 -40.8 97.52 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.562 -0.532 . . . . 0.7 109.562 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 92' ' ' PHE . 22.9 mt -67.86 -42.86 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 0.21 110.267 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 33.2 mmtp -59.13 -55.36 36.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.46 -0.791 . . . . 0.94 110.86 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -63.11 -21.41 66.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.83 110.751 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.67 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 58.1 t-80 -73.45 -42.63 61.73 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.81 -0.811 . . . . 1.21 108.81 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 117' ' ' ILE . 81.2 mt -69.37 -33.92 73.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 0.18 110.593 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.5 HD11 ' N ' ' A' ' 114' ' ' ILE . 67.0 mt -61.7 -51.31 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.31 0.576 . . . . 0.17 110.335 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 p -69.55 -24.11 63.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 0.61 111.87 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.8 pt-20 -96.82 17.64 16.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.787 0.327 . . . . 0.42 111.178 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 56.68 39.2 29.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.806 -0.634 . . . . 1.86 112.138 174.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.503 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.0 mmtp -105.16 -7.2 19.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.506 0.669 . . . . 1.22 109.349 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.68 178.74 8.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.9 -1.045 . . . . 0.29 110.385 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.516 ' HB3' ' HG3' ' A' ' 116' ' ' GLU . 40.1 t -108.86 -51.82 2.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.062 -0.517 . . . . 1.23 111.133 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.443 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 14.2 m80 -127.54 167.91 15.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.621 -0.511 . . . . 1.47 109.621 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.506 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 29.8 pt -62.08 -33.26 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.445 0.641 . . . . 0.26 110.185 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.8 p -85.63 -6.0 59.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.302 -0.863 . . . . 1.5 112.673 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HG3' ' HB3' ' A' ' 112' ' ' SER . 46.7 mm-40 -82.06 -2.81 53.06 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.828 -0.804 . . . . 0.8 108.828 174.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.499 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 33.1 mt -116.41 108.4 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 114.29 -1.323 . . . . 0.26 110.049 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -99.2 112.5 24.64 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.171 -0.677 . . . . 1.01 109.171 175.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.459 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 39.7 mt -98.28 125.3 43.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.66 -0.496 . . . . 0.73 109.66 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 3.7 mp -127.3 137.17 52.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.904 -0.406 . . . . 0.23 109.904 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 35.9 tp -114.72 100.77 8.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.295 -0.412 . . . . 1.36 109.969 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 43.2 tttp 58.44 38.04 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.72 -0.673 . . . . 2.47 110.472 176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.71 -15.54 59.6 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.848 -0.615 . . . . 0.47 112.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 55.7 tptt -81.76 121.11 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 1.94 110.914 -178.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 87.2 t -74.91 112.2 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.3 110.757 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.695 HD22 HD22 ' A' ' 135' ' ' LEU . 17.1 mt -90.25 131.11 36.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 0.31 109.197 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -85.9 170.76 12.05 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.958 -0.297 . . . . 1.67 111.394 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -49.15 -50.78 35.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.45 112.516 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -114.92 30.51 7.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.021 0.438 . . . . 1.91 111.884 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -64.4 133.06 51.81 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.966 -0.459 . . . . 0.39 109.931 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.02 137.73 37.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 0.47 110.59 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.74 -15.51 63.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 0.28 111.235 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.3 p -69.88 -29.27 66.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 1.25 110.778 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -82.73 -27.6 31.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.419 0.628 . . . . 1.93 109.596 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.695 HD22 HD22 ' A' ' 126' ' ' LEU . 31.4 mt -81.78 -55.56 4.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.29 -0.868 . . . . 0.42 110.703 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.5 tptp 56.32 69.79 0.71 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.356 -0.838 . . . . 2.87 110.473 -176.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.5 t -73.96 102.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.446 -0.797 . . . . 0.48 109.843 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 22.9 p -85.35 161.79 50.58 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.401 -0.818 . . . . 0.88 110.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -46.96 -46.37 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.816 2.344 . . . . 0.93 113.012 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.15 -20.53 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 0.89 111.688 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -115.93 30.06 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.998 0.428 . . . . 1.1 110.486 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.7 p -79.59 -18.74 50.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.093 -0.503 . . . . 1.23 111.895 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.8 m -76.63 113.69 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 0.48 110.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.437 HG21 HD22 ' A' ' 119' ' ' LEU . 27.4 mm -111.06 138.99 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.27 110.444 -176.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.8 m -86.96 107.59 18.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.54 -0.541 . . . . 0.21 109.54 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 148' ' ' ILE . 13.2 p -108.62 112.03 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.16 0.981 . . . . 0.2 111.091 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 81.9 mtp -99.05 102.38 14.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.028 -0.987 . . . . 1.62 109.585 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.593 HG13 HG22 ' A' ' 146' ' ' VAL . 72.1 mt -119.63 139.09 48.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.333 -0.394 . . . . 0.19 111.04 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.506 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.6 mmtp -135.12 108.37 10.46 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 108.266 -1.013 . . . . 1.18 108.266 170.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 151' ' ' ASN . 31.4 Cg_exo -58.63 100.91 0.12 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.532 2.155 . . . . 0.78 111.97 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 150' ' ' PRO . 89.0 m-20 70.48 97.33 0.07 Allowed 'General case' 0 C--O 1.234 0.269 0 O-C-N 124.052 0.845 . . . . 3.2 110.64 -176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.8 -28.58 66.11 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.196 0.522 . . . . 5.57 109.875 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.77 94.52 3.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.237 -0.892 . . . . 5.3 109.732 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -112.42 127.92 56.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.045 -0.525 . . . . 7.87 110.771 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 18.9 t60 64.04 82.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.446 -0.797 . . . . 8.16 110.978 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -124.28 104.79 9.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 9.6 110.641 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -129.13 113.27 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.24 -0.437 . . . . 11.32 110.25 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -84.71 -19.92 32.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.083 0.468 . . . . 13.83 110.094 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.626 -0.702 . . . . 15.61 109.718 175.66 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.7 ttt . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.663 0.268 . . . . 3.72 110.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.568 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 18.1 t -104.94 102.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 1.18 109.857 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -121.59 100.31 6.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.046 -0.525 . . . . 3.06 110.241 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.87 118.88 28.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.931 0.396 . . . . 0.54 110.955 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.9 m -103.12 93.25 4.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.356 -0.609 . . . . 0.26 109.356 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.1 102.29 10.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.669 -0.696 . . . . 0.72 109.867 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -93.15 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.872 0.368 . . . . 1.39 110.447 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 85.5 tttt -99.8 110.26 22.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 0.4 110.61 -176.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 pt -113.21 42.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.425 0.631 . . . . 0.64 110.685 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.538 ' HB3' ' CD ' ' A' ' 149' ' ' LYS . 26.4 mm-40 -116.19 -95.2 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 1.22 111.719 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.57 136.55 3.58 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 110.627 -0.138 . . . . 0.6 110.627 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.4 16.58 12.94 Favored 'Cis proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.624 -1.407 . . . . 0.77 112.823 -6.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 74.65 154.47 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.522 0.729 . . . . 1.96 112.387 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.574 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 0.4 OUTLIER 179.84 -177.25 0.35 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.664 0.786 . . . . 0.32 109.79 174.271 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.4 m -141.11 124.36 16.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.5 -0.556 . . . . 1.32 109.5 171.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.32 138.88 53.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 0.38 110.9 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.32 117.1 33.19 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.129 0.49 . . . . 1.45 109.73 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . 1.5 m-70 -127.31 121.19 30.4 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.851 -0.613 . . . . 2.42 109.914 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.18 135.23 42.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.204 -0.453 . . . . 1.83 110.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.467 ' O ' ' HB ' ' A' ' 74' ' ' VAL . 72.2 m-85 -142.16 163.91 31.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.111 -0.495 . . . . 0.97 110.426 -178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -78.85 150.28 75.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.778 -0.646 . . . . 0.81 109.763 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.3 -4.93 11.45 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.954 2.436 . . . . 0.73 113.76 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.1 m -105.23 5.76 32.36 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.677 -0.409 . . . . 0.89 110.98 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.42 173.95 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.272 -0.64 . . . . 1.37 109.272 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.505 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 57.3 p -126.41 151.28 47.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.49 . . . . 0.32 110.847 -177.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.469 HD13 HD12 ' A' ' 101' ' ' ILE . 47.0 mm -60.78 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.425 -0.807 . . . . 0.24 110.913 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.96 -36.92 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.014 -0.365 . . . . 0.71 110.014 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.505 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 27.7 mm-40 -70.41 -33.05 70.92 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.819 -0.353 . . . . 0.7 110.316 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.469 HD12 HD13 ' A' ' 98' ' ' ILE . 43.4 mt -69.91 -42.62 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.218 0.532 . . . . 0.21 109.877 176.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HD3' ' HB ' ' A' ' 114' ' ' ILE . 39.9 mttp -62.1 -50.62 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 0.94 110.937 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -58.22 -29.73 65.94 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.266 0.555 . . . . 0.83 110.423 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.674 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 51.9 t-80 -71.82 -45.97 59.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.38 -0.827 . . . . 1.21 109.172 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 42.9 mt -64.25 -35.42 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.604 . . . . 0.18 110.162 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.494 HD11 ' N ' ' A' ' 114' ' ' ILE . 73.7 mt -60.97 -50.1 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 0.17 110.2 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.2 p -66.41 -22.6 66.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.666 -0.697 . . . . 0.61 111.598 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.674 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -104.33 22.97 13.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.208 -0.308 . . . . 0.42 111.353 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.96 37.23 24.63 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.618 -0.719 . . . . 1.86 112.409 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 43.7 mmtm -103.08 -10.03 19.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.284 -0.416 . . . . 1.22 110.783 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.53 170.93 18.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.29 111.413 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 m -88.37 -61.19 1.77 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.813 -0.63 . . . . 1.23 110.938 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -133.78 171.58 13.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.955 -0.387 . . . . 1.47 109.955 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.591 ' HB ' ' HD3' ' A' ' 102' ' ' LYS . 23.1 pt -57.45 -51.65 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 112.088 0.403 . . . . 0.26 112.088 -172.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 114' ' ' ILE . 13.6 t -73.41 -8.3 55.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.076 0.398 . . . . 1.5 112.076 -175.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.15 -4.58 42.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.571 0.7 . . . . 0.8 109.513 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.416 ' HA ' HG12 ' A' ' 148' ' ' ILE . 54.6 mt -109.58 104.88 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.023 -1.444 . . . . 0.26 109.657 177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.11 113.23 25.05 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.24 -0.652 . . . . 1.01 109.24 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.446 HD12 HG23 ' A' ' 98' ' ' ILE . 30.3 mt -102.5 131.94 48.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.718 0.294 . . . . 0.73 110.347 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.03 132.13 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.133 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.0 tp -115.2 104.88 12.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.129 -0.487 . . . . 1.36 110.263 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt 60.7 41.86 14.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.475 0.655 . . . . 2.47 110.335 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.44 69.8 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.47 112.814 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -90.43 124.15 34.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 1.94 111.213 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.3 117.36 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.3 111.005 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 135' ' ' LEU . 46.2 mt -89.56 142.32 27.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.02 -0.734 . . . . 0.31 109.02 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -88.7 176.34 7.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.003 -0.279 . . . . 1.67 111.145 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.41 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 9.5 p-10 -61.11 -50.7 72.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.273 -0.421 . . . . 0.45 111.979 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -115.05 29.18 8.21 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.595 0.591 . . . . 1.91 112.595 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 134.87 54.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.796 0.331 . . . . 0.39 110.45 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -77.48 141.31 39.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.47 110.202 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.448 HD23 HG11 ' A' ' 74' ' ' VAL . 10.5 mp -68.07 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.28 111.538 -177.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 m -64.11 -39.22 93.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.22 0.533 . . . . 1.25 110.633 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.37 -30.59 53.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 1.93 109.981 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 126' ' ' LEU . 25.4 mt -75.15 -55.52 5.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.86 . . . . 0.42 110.785 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 61.3 tttp 57.44 72.74 0.5 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.752 -0.658 . . . . 2.87 111.052 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 41.4 t -84.66 101.66 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.48 110.133 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 139' ' ' PRO . 40.2 p -91.76 167.53 15.17 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 0.88 109.975 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 138' ' ' THR . 80.7 Cg_exo -48.41 -35.12 27.28 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.126 1.884 . . . . 0.93 112.813 174.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.09 -28.25 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.89 111.594 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.431 ' O ' HG13 ' A' ' 137' ' ' VAL . 47.4 m-80 -113.79 27.69 9.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.258 -0.428 . . . . 1.1 110.075 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.2 p -75.05 -21.17 59.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.826 -0.625 . . . . 1.23 111.811 -172.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.4 m -72.99 110.7 7.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.131 0.491 . . . . 0.48 110.52 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.413 HG21 HD22 ' A' ' 119' ' ' LEU . 24.1 mm -113.27 137.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.946 -0.57 . . . . 0.27 109.849 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.3 m -92.51 113.79 26.17 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.414 -0.587 . . . . 0.21 109.414 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 148' ' ' ILE . 14.2 p -113.82 111.5 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 122.213 1.006 . . . . 0.2 110.906 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 15.4 mmt -98.73 101.46 12.88 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.988 -1.005 . . . . 1.62 109.22 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.597 HG13 HG22 ' A' ' 146' ' ' VAL . 55.0 mt -116.95 134.4 60.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.444 -0.344 . . . . 0.19 110.395 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.538 ' CD ' ' HB3' ' A' ' 82' ' ' GLN . 10.7 mmmm -128.01 91.03 45.88 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.791 -0.363 . . . . 1.18 110.061 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.0 131.83 45.89 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.78 111.577 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -84.08 57.98 4.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.36 0.6 . . . . 3.2 110.399 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 90.2 mt -91.62 102.76 15.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.515 -0.766 . . . . 5.57 109.507 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -112.55 40.7 2.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.128 -0.487 . . . . 5.3 110.851 -175.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -75.76 -58.32 3.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.114 -0.328 . . . . 7.87 110.114 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -97.94 41.05 1.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.533 0.683 . . . . 8.16 109.826 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -59.15 132.29 53.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.988 -1.006 . . . . 9.6 111.43 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -147.98 102.15 3.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.5 0.667 . . . . 11.32 110.471 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -137.19 173.01 12.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.562 -0.745 . . . . 13.83 109.97 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 . . . . . 0 C--O 1.245 0.835 0 CA-C-N 116.261 -0.427 . . . . 15.61 110.488 178.825 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.699 0.285 . . . . 3.72 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.6 t -82.54 85.91 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.25 0.548 . . . . 1.18 111.282 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -114.54 121.33 43.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.928 -0.578 . . . . 3.06 110.16 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 76' ' ' LEU . 6.2 mp -105.45 115.29 30.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.037 0.446 . . . . 0.54 110.473 -177.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -89.02 96.96 10.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.348 -0.612 . . . . 0.26 109.348 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.434 ' HB2' ' CG1' ' A' ' 88' ' ' ILE . 53.1 mt -79.75 96.62 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.639 0.733 . . . . 0.72 109.516 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -94.77 102.5 14.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.814 -1.085 . . . . 1.39 109.955 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 85.8 tttt -91.42 105.26 17.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 0.4 110.745 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.2 pt -106.74 27.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.607 -0.724 . . . . 0.64 110.743 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.488 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.3 mm-40 -102.38 -96.28 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.22 112.21 -175.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 84' ' ' PRO . . . -158.54 133.26 5.43 Favored Pre-proline 0 C--N 1.332 -0.172 0 O-C-N 122.375 -0.203 . . . . 0.6 110.829 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 83' ' ' ALA . 87.8 Cg_endo -83.71 18.48 22.51 Favored 'Cis proline' 0 C--N 1.346 0.447 0 C-N-CA 123.642 -1.399 . . . . 0.77 112.273 -2.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 74.7 143.13 0.07 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.189 -0.914 . . . . 1.96 112.803 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.46 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.7 p90 -170.11 175.62 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.721 -1.127 . . . . 0.32 108.32 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -144.2 116.1 8.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.027 0.441 . . . . 1.32 109.898 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 22.3 pt -119.41 159.41 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.856 -0.611 . . . . 0.38 110.772 -175.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -123.3 116.54 23.51 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.361 -0.607 . . . . 1.45 109.361 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . 1.8 m-70 -134.88 122.86 22.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.787 0.327 . . . . 2.42 110.729 -176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -95.25 145.39 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.857 0.36 . . . . 1.83 110.035 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 90' ' ' HIS . 97.7 m-85 -141.14 162.12 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.97 110.012 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -74.33 144.36 81.22 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.384 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.9 -3.54 10.7 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.896 2.397 . . . . 0.73 113.149 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -113.81 9.9 17.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.031 0.443 . . . . 0.89 110.526 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -82.57 172.46 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.711 . . . . 1.37 109.079 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.567 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 24.0 p -116.11 151.8 34.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.792 0.33 . . . . 0.32 110.965 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.7 mm -57.18 -29.4 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.803 -0.635 . . . . 0.24 110.364 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.31 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.71 110.403 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.567 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 32.2 mm-40 -67.49 -37.63 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.764 -0.458 . . . . 0.7 109.764 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 98' ' ' ILE . 53.8 mt -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.21 110.18 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.625 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 76.6 mttt -65.31 -47.96 74.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.574 -0.739 . . . . 0.94 110.797 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 106' ' ' ILE . 11.1 mm100 -59.93 -25.35 65.09 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.369 0.604 . . . . 0.83 110.287 175.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.578 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.9 t60 -75.61 -41.29 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.145 -0.934 . . . . 1.21 109.419 -174.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.412 HD12 HG21 ' A' ' 117' ' ' ILE . 43.0 mt -68.92 -34.11 74.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.061 -0.518 . . . . 0.18 109.913 177.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 102' ' ' LYS . 75.7 mt -61.38 -47.72 92.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.17 110.257 173.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.7 p -65.85 -24.3 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.625 . . . . 0.61 111.877 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.7 pt-20 -106.8 20.42 19.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.723 -0.391 . . . . 0.42 111.474 178.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.51 41.45 28.67 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.767 -0.651 . . . . 1.86 112.29 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.4 mmtm -100.65 -11.0 20.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.925 -0.579 . . . . 1.22 109.75 174.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.89 -178.15 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.444 -0.798 . . . . 0.29 110.721 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.6 m -103.94 -59.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.262 -0.426 . . . . 1.23 111.642 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -133.16 173.72 11.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.763 -0.199 . . . . 1.47 110.542 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.625 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 26.2 pt -65.44 -50.64 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.307 0.484 . . . . 0.26 112.307 -170.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 114' ' ' ILE . 18.4 t -70.61 -13.8 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.064 -0.398 . . . . 1.5 111.475 -176.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 9.4 mm-40 -73.49 -5.94 43.28 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.505 0.669 . . . . 0.8 109.464 174.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.437 HG22 ' CD1' ' A' ' 119' ' ' LEU . 41.9 mt -116.02 102.18 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 114.309 -1.314 . . . . 0.26 109.456 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.99 112.95 24.93 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.372 -0.603 . . . . 1.01 109.372 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 117' ' ' ILE . 6.8 mp -97.38 127.85 43.69 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.132 -0.322 . . . . 0.73 110.132 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 5.0 mp -124.33 134.68 53.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.98 -0.378 . . . . 0.23 109.98 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.68 101.49 9.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.8 -0.815 . . . . 1.36 108.8 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.4 tttp 61.4 36.01 17.55 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.719 0.771 . . . . 2.47 109.653 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.43 -11.79 71.13 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.585 -0.734 . . . . 0.47 112.799 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 4.9 tppp? -74.44 119.63 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 1.94 110.85 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -70.86 112.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 0.3 110.616 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.541 HD22 HD22 ' A' ' 135' ' ' LEU . 46.2 mt -88.88 132.35 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.417 -0.586 . . . . 0.31 109.417 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -77.15 162.15 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.149 -0.221 . . . . 1.67 111.251 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -51.25 -44.78 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.35 0.406 . . . . 0.45 111.821 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -114.81 28.87 8.42 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.176 0.806 . . . . 1.91 113.176 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 133.24 46.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.622 0.249 . . . . 0.39 110.373 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 57.1 m-85 -76.84 140.91 40.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.47 110.586 177.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.25 -15.21 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.28 111.207 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 t -69.62 -31.25 69.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.186 0.517 . . . . 1.25 109.794 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -82.6 -17.95 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.758 -0.655 . . . . 1.93 109.9 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.541 HD22 HD22 ' A' ' 126' ' ' LEU . 47.5 mt -92.66 -56.49 2.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.84 -176.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.5 mttp 55.01 76.14 0.27 Allowed 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.734 0.646 . . . . 2.87 110.541 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.47 100.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.303 0.573 . . . . 0.48 110.069 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 33.9 p -68.97 139.11 90.35 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.035 -0.984 . . . . 0.88 110.447 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -53.8 -27.9 45.43 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.179 2.586 . . . . 0.93 113.141 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.14 -22.67 59.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 0.89 111.146 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -125.54 45.21 2.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.254 -0.647 . . . . 1.1 109.254 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p -86.66 -8.66 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.387 -0.824 . . . . 1.23 111.437 -174.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.8 m -80.89 99.04 8.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.196 0.522 . . . . 0.48 109.852 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.0 mm -89.13 131.29 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.452 -0.794 . . . . 0.27 109.603 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.0 m -85.93 104.62 15.74 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.877 -0.786 . . . . 0.21 108.877 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.473 HG22 HG13 ' A' ' 148' ' ' ILE . 8.8 p -105.23 107.74 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 122.45 1.119 . . . . 0.2 110.843 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 57.5 mtt -88.16 102.82 15.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.851 -1.068 . . . . 1.62 109.575 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 116' ' ' GLU . 68.5 mt -121.23 135.22 62.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.382 -0.372 . . . . 0.19 111.142 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.3 mmtp -132.63 97.19 17.65 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 1.18 109.802 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.77 156.33 66.46 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.539 2.159 . . . . 0.78 111.767 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -81.61 15.59 2.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 3.2 110.468 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.1 tp -75.31 72.02 2.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.871 -0.604 . . . . 5.57 110.266 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -97.52 -28.35 14.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.907 -0.588 . . . . 5.3 109.89 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -62.19 -41.04 97.97 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.163 -0.471 . . . . 7.87 110.848 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 43.3 m80 50.88 56.95 7.2 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.392 0.432 . . . . 8.16 110.721 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -121.08 55.42 1.06 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.081 0.467 . . . . 9.6 111.015 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -124.91 74.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.937 -0.574 . . . . 11.32 110.283 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -100.6 11.82 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.155 -0.475 . . . . 13.83 111.243 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.265 -0.874 . . . . 15.61 109.744 178.885 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.806 0.336 . . . . 3.72 111.085 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 p -131.97 103.39 6.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.553 0.692 . . . . 1.18 110.744 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -92.81 120.31 33.05 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.607 -0.724 . . . . 3.06 110.066 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.37 115.02 27.72 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.05 0.453 . . . . 0.54 110.107 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' A' ' 143' ' ' THR . 45.4 m -83.31 93.57 7.75 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.268 -0.642 . . . . 0.26 109.268 175.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.453 HD22 HD21 ' A' ' 119' ' ' LEU . 17.8 mt -79.5 96.83 6.21 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.874 -0.787 . . . . 0.72 108.874 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' C ' HG12 ' A' ' 146' ' ' VAL . 83.6 tttt -95.88 113.54 25.17 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.377 -0.828 . . . . 1.39 110.522 -173.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 88.6 tttt -97.38 111.32 23.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.897 -0.592 . . . . 0.4 110.591 -175.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 38.0 pt -113.26 18.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.875 -0.602 . . . . 0.64 111.442 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 15.0 mm-40 -98.36 -90.85 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.88 0.326 . . . . 1.22 111.88 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.56 139.09 3.05 Favored Pre-proline 0 N--CA 1.465 0.298 0 C-N-CA 121.482 -0.087 . . . . 0.6 111.146 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.39 15.11 12.42 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 124.031 -1.237 . . . . 0.77 112.612 -7.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 75.74 154.73 0.16 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.503 0.721 . . . . 1.96 112.566 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -175.21 -179.04 1.26 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.431 -0.804 . . . . 0.32 109.385 173.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -145.79 104.85 3.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.884 0.373 . . . . 1.32 110.198 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 19.6 pt -116.42 158.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.185 -0.461 . . . . 0.38 110.83 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -130.81 121.31 25.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.788 -0.449 . . . . 1.45 109.788 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -127.85 144.57 51.09 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.896 0.379 . . . . 2.42 110.939 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -100.58 123.8 45.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.977 -0.556 . . . . 1.83 110.791 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CD2' HG12 ' A' ' 101' ' ' ILE . 88.9 m-85 -132.94 153.57 51.28 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.695 -0.684 . . . . 0.97 109.348 177.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -70.92 141.73 87.19 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.562 -0.29 . . . . 0.81 110.228 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.8 -3.29 6.6 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.722 2.282 . . . . 0.73 113.426 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 p -113.6 8.19 17.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 0.89 110.677 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -82.8 172.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.683 -0.69 . . . . 1.37 109.8 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.552 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 43.9 p -104.29 148.9 25.83 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.99 0.424 . . . . 0.32 110.755 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.51 HD13 HD12 ' A' ' 101' ' ' ILE . 41.2 mm -59.65 -24.15 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.536 -0.756 . . . . 0.24 109.442 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.21 -39.31 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 0.71 110.062 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.552 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.4 mm-40 -65.93 -36.83 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.7 109.851 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.51 HD12 HD13 ' A' ' 98' ' ' ILE . 45.1 mt -64.25 -48.83 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.515 -0.766 . . . . 0.21 110.4 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.651 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 89.2 mttt -65.59 -43.49 89.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.706 -0.679 . . . . 0.94 110.893 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -59.08 -27.22 65.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.83 110.562 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 59.8 t-80 -79.45 -38.16 35.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.56 -0.746 . . . . 1.21 109.693 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.414 HD12 HG21 ' A' ' 117' ' ' ILE . 54.1 mt -68.49 -30.32 69.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.66 -0.496 . . . . 0.18 109.66 177.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 102' ' ' LYS . 74.4 mt -66.45 -45.34 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.17 110.088 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -73.88 -12.47 60.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.767 -0.651 . . . . 0.61 111.505 -173.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 15.7 pt-20 -112.13 22.02 15.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.742 0.306 . . . . 0.42 111.053 175.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 57.31 39.16 28.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.762 -0.654 . . . . 1.86 112.721 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 74.0 mmtt -101.02 -18.78 16.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.201 -0.454 . . . . 1.22 110.2 175.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 117' ' ' ILE . . . -152.82 176.33 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.218 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t -96.57 -50.84 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 1.23 111.259 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -137.94 168.64 19.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.34 -0.144 . . . . 1.47 111.089 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 18.8 pt -60.83 -48.24 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 111.879 0.326 . . . . 0.26 111.879 -175.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.1 t -72.91 -11.63 60.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.72 0.295 . . . . 1.5 111.59 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 46.8 mm-40 -78.84 -4.03 47.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.848 0.832 . . . . 0.8 109.334 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.414 HG21 HD12 ' A' ' 105' ' ' LEU . 53.7 mt -116.12 128.69 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 113.58 -1.646 . . . . 0.26 108.537 174.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.573 ' HD3' HG13 ' A' ' 125' ' ' VAL . 2.3 tmmm? -137.05 115.26 11.67 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.822 -0.751 . . . . 1.01 110.538 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 144' ' ' ILE . 56.4 mt -91.73 146.57 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.437 -0.801 . . . . 0.73 109.961 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 145' ' ' THR . 4.2 mp -129.26 136.19 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.977 -0.379 . . . . 0.23 109.977 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 tt -115.55 108.59 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.615 -0.883 . . . . 1.36 108.615 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' LYS . 61.1 tttp 64.56 28.8 13.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.793 0.806 . . . . 2.47 109.824 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.08 -12.47 67.62 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.621 -0.718 . . . . 0.47 112.412 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -73.31 120.72 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.733 0.301 . . . . 1.94 110.541 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.573 HG13 ' HD3' ' A' ' 118' ' ' LYS . 51.1 t -63.29 120.96 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.608 -0.724 . . . . 0.3 111.15 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 119' ' ' LEU . 29.0 mt -99.14 120.44 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.79 -0.641 . . . . 0.31 109.788 177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -72.75 170.53 14.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.211 -0.449 . . . . 1.67 111.307 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.14 -47.65 74.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.223 -0.444 . . . . 0.45 112.04 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -109.56 29.52 7.49 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.45 0.907 . . . . 1.91 113.45 -172.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -69.74 139.42 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.155 -0.341 . . . . 0.39 110.292 177.274 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 51.3 m-85 -88.57 141.75 28.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.294 . . . . 0.47 110.839 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.7 -16.92 62.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.274 -0.421 . . . . 0.28 111.056 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 p -70.07 -26.25 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.105 0.478 . . . . 1.25 110.644 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -83.82 -36.85 23.19 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.235 -0.654 . . . . 1.93 109.235 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 29.9 mt -70.73 -50.83 32.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.033 -0.985 . . . . 0.42 111.022 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt 59.82 75.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.629 -0.714 . . . . 2.87 110.22 -174.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 t -75.23 101.99 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.48 109.34 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.9 p -83.54 155.15 65.86 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.113 -0.494 . . . . 0.88 111.168 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.79 -44.88 21.44 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.014 2.476 . . . . 0.93 113.57 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.57 58.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.505 -0.316 . . . . 0.89 111.782 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -109.33 38.49 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.0 0.429 . . . . 1.1 110.45 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.6 p -85.1 -11.19 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.039 -0.528 . . . . 1.23 111.492 -176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 77' ' ' THR . 33.7 m -80.97 102.08 9.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.402 0.62 . . . . 0.48 110.055 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.461 ' CG2' HD22 ' A' ' 119' ' ' LEU . 17.5 mm -99.74 143.01 14.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.447 -0.797 . . . . 0.27 109.804 -176.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 7.9 m -86.34 107.72 18.12 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.072 -0.344 . . . . 0.21 110.072 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 148' ' ' ILE . 8.3 p -103.83 118.33 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 122.18 0.99 . . . . 0.2 110.772 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 58.8 mtt -105.39 107.55 18.59 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.849 -1.069 . . . . 1.62 109.815 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.498 HG13 HG22 ' A' ' 146' ' ' VAL . 68.0 mt -129.04 141.84 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.19 110.567 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -132.67 95.84 19.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 123.272 0.358 . . . . 1.18 110.15 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.6 101.42 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.313 2.675 . . . . 0.78 112.372 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -77.78 138.81 39.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.914 -0.584 . . . . 3.2 110.549 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -152.46 122.03 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.204 0.526 . . . . 5.57 109.951 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -92.16 15.67 13.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.922 -0.581 . . . . 5.3 111.191 -176.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -120.2 153.18 36.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.565 -0.531 . . . . 7.87 109.565 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 58.19 69.44 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.656 0.597 . . . . 8.16 109.877 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -142.5 35.69 1.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.827 -0.624 . . . . 9.6 110.798 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -122.44 125.94 46.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.003 -0.544 . . . . 11.32 110.585 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -81.69 -23.74 36.65 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.997 -0.742 . . . . 13.83 108.997 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.17 -0.923 . . . . 15.61 109.293 175.57 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.579 -0.526 . . . . 3.72 109.579 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t 55.75 80.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.502 0.668 . . . . 1.18 111.24 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -107.55 128.97 54.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.818 -0.628 . . . . 3.06 110.109 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.5 121.27 43.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.05 0.452 . . . . 0.54 110.938 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -99.59 96.17 7.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.338 -0.615 . . . . 0.26 109.338 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.9 mt -82.74 99.61 9.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.97 -0.559 . . . . 0.72 110.054 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HD3' HG23 ' A' ' 81' ' ' ILE . 6.1 tmmm? -91.6 121.7 33.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 1.39 110.419 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.481 ' HB2' HG13 ' A' ' 146' ' ' VAL . 85.4 tttt -116.15 118.39 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.4 111.476 -174.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.431 HG23 ' HD3' ' A' ' 79' ' ' LYS . 7.9 pt -126.39 43.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.348 0.594 . . . . 0.64 111.267 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 85' ' ' LYS . 29.0 mm-40 -114.69 -85.92 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 1.22 111.285 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.68 133.61 3.19 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 110.561 -0.163 . . . . 0.6 110.561 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -82.84 13.31 33.51 Favored 'Cis proline' 0 C--N 1.346 0.396 0 C-N-CA 123.976 -1.26 . . . . 0.77 112.046 -3.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 82' ' ' GLN . 9.7 mtmp? 74.44 143.63 0.07 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.409 -0.814 . . . . 1.96 112.09 175.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.464 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 2.6 p90 -178.83 -177.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.559 -0.746 . . . . 0.32 109.373 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -144.92 126.73 15.31 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 1.32 109.707 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 pt -128.22 139.85 50.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.28 -0.418 . . . . 0.38 111.359 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -105.48 117.36 33.82 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.843 -0.428 . . . . 1.45 109.843 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -132.56 146.46 51.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.856 0.36 . . . . 2.42 110.744 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -115.2 141.95 47.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.596 -0.52 . . . . 1.83 109.596 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -139.64 149.04 43.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.877 -0.601 . . . . 0.97 109.623 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -71.93 146.12 89.95 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.161 -0.472 . . . . 0.81 110.815 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.97 -43.63 46.56 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.495 2.13 . . . . 0.73 113.576 -173.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.2 m -87.5 9.75 19.94 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.886 -0.509 . . . . 0.89 111.927 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.17 153.99 24.5 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.989 -1.115 . . . . 1.37 107.989 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.528 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.1 p -100.72 156.48 17.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.262 0.553 . . . . 0.32 111.732 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.531 HD13 HD12 ' A' ' 101' ' ' ILE . 38.7 mm -56.59 -27.88 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.3 -0.864 . . . . 0.24 110.015 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.44 -37.57 87.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.979 -0.555 . . . . 0.71 109.741 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.528 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.8 mm-40 -66.34 -38.46 87.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.7 109.98 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.531 HD12 HD13 ' A' ' 98' ' ' ILE . 43.1 mt -64.08 -45.28 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.828 -0.624 . . . . 0.21 110.134 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.554 ' HG3' HD12 ' A' ' 117' ' ' ILE . 2.4 mptm? -61.16 -53.54 55.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.368 -0.833 . . . . 0.94 111.337 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.54 -20.47 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.203 0.525 . . . . 0.83 110.474 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.657 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 53.3 t-80 -77.26 -40.28 45.22 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.688 -0.856 . . . . 1.21 108.688 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 53.5 mt -73.25 -38.08 66.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.18 110.434 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 102' ' ' LYS . 80.7 mt -57.87 -47.47 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 0.17 110.28 173.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.0 p -72.67 -23.6 60.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 0.61 111.956 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -99.9 20.51 14.16 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.011 0.434 . . . . 0.42 111.096 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 55.92 46.39 22.15 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.45 -0.795 . . . . 1.86 111.909 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 39.9 mmtm -110.26 -7.4 14.85 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.832 -0.622 . . . . 1.22 110.338 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.63 -174.75 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.29 111.783 -174.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.6 t -108.91 -66.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.814 -0.63 . . . . 1.23 110.56 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -126.32 169.68 12.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.631 -0.259 . . . . 1.47 110.608 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 102' ' ' LYS . 36.2 pt -61.6 -41.33 89.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.255 0.55 . . . . 0.26 111.052 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 114' ' ' ILE . 11.6 p -76.56 -17.01 59.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.417 0.525 . . . . 1.5 112.417 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -82.2 7.09 14.57 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.598 0.713 . . . . 0.8 110.098 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.554 HD12 ' HG3' ' A' ' 102' ' ' LYS . 69.4 mt -119.18 110.29 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 114.308 -1.314 . . . . 0.26 108.797 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.519 ' HA ' ' HE3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -98.63 113.14 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.235 -0.654 . . . . 1.01 109.235 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 144' ' ' ILE . 17.5 mt -101.27 126.81 48.04 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.847 -0.427 . . . . 0.73 109.847 175.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 mp -129.82 138.0 50.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 0.23 110.082 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.6 tp -114.7 100.71 8.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 1.36 110.018 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 56.02 41.64 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.486 -0.779 . . . . 2.47 110.854 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.0 -14.32 64.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.95 -0.643 . . . . 0.47 112.739 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -83.92 115.98 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.681 -0.305 . . . . 1.94 110.541 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.91 110.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.016 -0.538 . . . . 0.3 110.464 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.592 HD22 HD22 ' A' ' 135' ' ' LEU . 46.7 mt -83.98 135.76 34.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.321 -0.622 . . . . 0.31 109.321 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -84.25 161.63 20.43 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.918 -0.313 . . . . 1.67 110.994 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -47.47 -47.04 27.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.772 0.67 . . . . 0.45 112.427 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -116.11 28.69 8.44 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.571 0.952 . . . . 1.91 113.571 -174.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.21 141.2 58.14 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.205 -0.309 . . . . 0.39 110.541 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.528 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.0 m-85 -81.29 142.28 33.26 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.673 0.273 . . . . 0.47 110.794 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.21 -15.76 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 0.28 111.765 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.6 -22.92 62.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.058 0.456 . . . . 1.25 110.436 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -91.17 -22.8 20.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.791 -0.64 . . . . 1.93 109.822 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.592 HD22 HD22 ' A' ' 126' ' ' LEU . 34.1 mt -83.4 -53.79 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.372 -0.831 . . . . 0.42 110.486 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 58.75 70.08 0.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.544 -0.753 . . . . 2.87 111.06 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.1 t -80.45 102.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.48 110.223 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.5 p -84.3 160.28 57.41 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.626 -0.715 . . . . 0.88 111.175 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -46.27 -48.15 13.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.274 2.65 . . . . 0.93 113.953 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.23 -17.62 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 0.89 111.692 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.54 27.68 9.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 1.1 110.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.406 ' O ' HG12 ' A' ' 144' ' ' ILE . 29.5 t -73.12 -16.98 61.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.749 -0.66 . . . . 1.23 111.362 -175.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.7 m -69.3 103.21 1.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.345 0.593 . . . . 0.48 111.233 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 119' ' ' LEU . 29.9 mm -106.49 141.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.561 -0.745 . . . . 0.27 109.541 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.1 m -96.15 117.66 31.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.409 -0.589 . . . . 0.21 109.409 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.565 HG22 HG13 ' A' ' 148' ' ' ILE . 11.6 p -116.53 111.69 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.116 0.96 . . . . 0.2 110.943 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 78.3 mtp -97.92 102.15 13.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.214 -0.903 . . . . 1.62 109.3 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.565 HG13 HG22 ' A' ' 146' ' ' VAL . 52.4 mt -120.46 137.86 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 121.044 -0.263 . . . . 0.19 111.051 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.522 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 10.6 mmmm -127.32 107.23 21.39 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.753 -0.832 . . . . 1.18 108.753 172.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.73 167.66 18.76 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.868 2.379 . . . . 0.78 112.733 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -85.9 56.98 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.623 -0.717 . . . . 3.2 110.55 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.79 138.34 58.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 5.57 109.88 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.37 -7.95 50.55 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.372 0.508 . . . . 5.3 112.372 -172.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -73.8 83.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.855 0.359 . . . . 7.87 110.214 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -107.1 -7.23 16.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.198 0.523 . . . . 8.16 110.166 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -118.75 134.87 54.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.765 -0.652 . . . . 9.6 109.518 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -111.92 126.97 55.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.305 -0.407 . . . . 11.32 110.438 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -85.37 61.39 6.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.313 0.578 . . . . 13.83 109.733 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 40.7 t60 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.286 -0.87 . . . . 15.61 109.491 -176.277 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.581 0.229 . . . . 3.72 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.56 87.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.09 0.471 . . . . 1.18 110.612 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -108.38 126.6 53.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.028 -0.533 . . . . 3.06 109.94 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mp -106.59 124.18 49.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.485 -0.325 . . . . 0.54 110.24 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 m -98.72 92.51 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.069 0.462 . . . . 0.26 110.321 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.487 HD23 HD21 ' A' ' 119' ' ' LEU . 6.8 mp -79.47 107.97 12.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.646 -0.706 . . . . 0.72 110.507 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -102.04 120.6 40.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.208 -0.451 . . . . 1.39 110.524 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.0 tttt -102.41 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 0.4 111.163 -173.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 pt -112.31 40.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 0.64 111.536 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -115.84 -90.81 0.54 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.22 111.39 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -165.19 136.09 3.11 Favored Pre-proline 0 C--N 1.332 -0.177 0 N-CA-C 110.469 -0.197 . . . . 0.6 110.469 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.87 13.71 23.49 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.536 -1.443 . . . . 0.77 112.317 -2.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 73.52 145.68 0.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.282 -0.872 . . . . 1.96 111.504 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.452 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -174.41 -177.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.32 109.843 177.16 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.6 m -142.48 123.5 14.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.909 -0.404 . . . . 1.32 109.909 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.445 HG13 ' HB2' ' A' ' 78' ' ' LEU . 20.6 pt -131.36 145.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.903 0.382 . . . . 0.38 110.852 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.05 118.67 34.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.242 -0.435 . . . . 1.45 109.829 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -129.71 127.02 39.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.319 -0.4 . . . . 2.42 110.627 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.43 146.13 28.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.362 -0.381 . . . . 1.83 110.16 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.494 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.6 m-85 -147.2 172.84 13.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.854 -0.612 . . . . 0.97 110.269 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.3 m -81.36 141.25 49.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.083 -0.508 . . . . 0.81 109.978 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.25 -16.46 51.18 Favored 'Trans proline' 0 C--O 1.219 -0.428 0 C-N-CA 123.077 2.518 . . . . 0.73 113.687 -175.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -103.89 9.96 36.56 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.653 -0.419 . . . . 0.89 111.337 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' A' ' 100' ' ' GLN . 13.5 t0 -86.62 167.91 14.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.357 -0.609 . . . . 1.37 109.357 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.458 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.9 p -105.75 153.51 21.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.302 0.573 . . . . 0.32 111.689 -176.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.437 HD13 HD12 ' A' ' 101' ' ' ILE . 45.4 mm -59.02 -26.73 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.201 -0.909 . . . . 0.24 110.375 174.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.81 -38.5 82.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.71 109.814 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.512 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 28.2 mm-40 -65.44 -40.47 93.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.863 0.363 . . . . 0.7 110.097 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.494 HG12 ' CE2' ' A' ' 92' ' ' PHE . 48.3 mt -64.46 -47.09 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.21 110.381 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 114' ' ' ILE . 92.0 mttt -65.47 -45.9 81.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.607 -0.724 . . . . 0.94 111.454 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -59.5 -27.85 66.51 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.287 0.565 . . . . 0.83 110.289 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 48.3 t-80 -76.14 -42.3 47.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.376 -0.829 . . . . 1.21 109.218 -175.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 117' ' ' ILE . 42.0 mt -63.44 -35.92 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.969 -0.56 . . . . 0.18 110.019 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.497 HD11 ' N ' ' A' ' 114' ' ' ILE . 76.0 mt -63.16 -46.77 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.17 110.3 172.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.8 p -68.54 -16.28 63.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.921 -0.581 . . . . 0.61 111.585 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.9 pt-20 -108.57 19.65 19.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.97 0.415 . . . . 0.42 110.693 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 58.3 35.51 24.94 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.523 -0.762 . . . . 1.86 112.903 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.496 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 75.8 mmtt -101.13 -10.13 20.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.347 -0.388 . . . . 1.22 110.62 177.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.31 173.02 17.48 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.849 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.5 t -92.74 -64.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 1.23 110.576 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -129.18 168.08 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.945 -0.391 . . . . 1.47 109.945 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.497 ' N ' HD11 ' A' ' 106' ' ' ILE . 30.3 pt -57.76 -42.39 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.436 . . . . 0.26 111.142 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 p -77.88 -9.52 59.1 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.648 0.61 . . . . 1.5 112.648 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -83.03 -2.76 56.15 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.964 0.888 . . . . 0.8 109.087 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.441 HD13 HD12 ' A' ' 105' ' ' LEU . 64.8 mt -106.86 111.36 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 113.825 -1.534 . . . . 0.26 109.159 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 147' ' ' MET . 0.2 OUTLIER -98.01 112.11 24.17 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.32 -0.993 . . . . 1.01 108.32 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.487 HD21 HD23 ' A' ' 78' ' ' LEU . 14.6 mt -104.95 129.62 53.31 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.751 0.31 . . . . 0.73 110.224 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.34 138.7 49.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.971 -0.559 . . . . 0.23 109.845 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.0 tt -113.19 100.33 8.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.495 -0.928 . . . . 1.36 108.495 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 52.3 40.8 29.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.312 -0.858 . . . . 2.47 110.588 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.51 -21.57 43.53 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.653 -0.703 . . . . 0.47 113.053 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -74.71 117.07 16.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.862 0.363 . . . . 1.94 110.969 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.05 119.55 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.723 -0.671 . . . . 0.3 110.947 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.555 HD22 HD22 ' A' ' 135' ' ' LEU . 37.2 mt -96.38 121.43 38.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.434 -0.58 . . . . 0.31 109.434 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -74.58 -177.97 3.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 1.67 111.332 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -60.47 -53.38 58.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.45 112.217 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -115.25 29.28 8.13 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.927 0.714 . . . . 1.91 112.927 -173.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -65.77 132.55 49.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.62 0.248 . . . . 0.39 110.549 178.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.455 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 65.1 m-85 -77.29 142.06 39.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.796 0.331 . . . . 0.47 110.861 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.52 -15.74 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 0.28 111.193 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -70.86 -27.26 63.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.151 0.501 . . . . 1.25 110.293 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.22 -31.15 25.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.333 -0.617 . . . . 1.93 109.333 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.555 HD22 HD22 ' A' ' 126' ' ' LEU . 25.5 mt -75.26 -53.76 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.927 -1.033 . . . . 0.42 110.897 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 60.9 75.18 0.42 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.88 -0.6 . . . . 2.87 110.758 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.89 101.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 0.48 109.505 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 72.1 p -76.35 153.06 83.98 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.15 -0.477 . . . . 0.88 110.451 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.2 -7.77 7.19 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.49 2.794 . . . . 0.93 113.213 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -99.85 -35.06 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.948 0.404 . . . . 0.89 110.575 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -104.07 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 1.1 110.346 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.6 m -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 1.23 110.944 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.5 m -75.22 105.14 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 0.48 110.446 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.432 HG21 HD22 ' A' ' 119' ' ' LEU . 35.0 mm -103.28 131.47 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.75 -0.659 . . . . 0.27 110.093 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.3 m -89.09 115.64 26.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.445 -0.576 . . . . 0.21 109.445 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.622 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 11.8 p -115.22 114.21 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-O 122.2 1.0 . . . . 0.2 110.727 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.475 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 63.4 mtt -102.24 101.13 11.39 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.283 -0.871 . . . . 1.62 109.256 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.62 HG13 HG22 ' A' ' 146' ' ' VAL . 75.4 mt -115.02 134.75 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.554 . . . . 0.19 110.434 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -126.38 97.28 34.46 Favored Pre-proline 0 C--N 1.316 -0.859 0 N-CA-C 109.349 -0.611 . . . . 1.18 109.349 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.81 153.97 34.32 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.951 2.434 . . . . 0.78 112.211 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -125.62 118.29 25.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.194 -0.457 . . . . 3.2 110.327 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.7 tp -126.21 57.83 1.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.61 0.719 . . . . 5.57 109.786 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -80.9 -13.76 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.371 -0.831 . . . . 5.3 109.766 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -148.95 134.05 18.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.192 -0.913 . . . . 7.87 109.487 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -58.27 126.34 27.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.89 0.376 . . . . 8.16 110.599 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -84.79 -37.79 20.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.621 -0.718 . . . . 9.6 110.803 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -88.0 111.86 21.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.795 -0.446 . . . . 11.32 109.795 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -91.9 170.08 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.029 0.442 . . . . 13.83 110.684 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.454 -0.784 . . . . 15.61 109.651 175.667 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 90' ' ' HIS . 7.2 mp . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.845 0.355 . . . . 0.54 111.242 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 m -98.94 107.45 19.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.546 -0.539 . . . . 0.26 109.546 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.448 ' HB2' HG13 ' A' ' 88' ' ' ILE . 17.2 mt -87.78 105.02 17.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.019 -0.363 . . . . 0.72 110.019 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -100.17 117.28 34.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.997 0.427 . . . . 1.39 110.635 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 83.3 tttt -101.03 109.3 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.4 110.998 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.8 pt -112.61 30.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.037 -0.529 . . . . 0.64 111.402 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -104.15 -89.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.366 -0.379 . . . . 1.22 111.774 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . . . -164.05 136.66 3.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 110.392 -0.225 . . . . 0.6 110.392 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.24 16.6 18.68 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.926 -1.281 . . . . 0.77 111.916 -2.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 72.56 143.51 0.06 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.256 -0.883 . . . . 1.96 112.311 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.489 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 1.6 p90 -175.08 -177.52 1.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.354 -0.839 . . . . 0.32 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 p -138.17 120.1 15.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.823 0.345 . . . . 1.32 110.072 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.448 HG13 ' HB2' ' A' ' 78' ' ' LEU . 27.8 pt -127.52 175.92 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.38 110.249 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -149.79 146.26 27.07 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.264 -0.426 . . . . 1.45 109.87 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 76' ' ' LEU . 11.1 p80 -144.46 152.64 40.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 2.42 110.597 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.24 122.09 30.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 1.83 109.945 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -137.65 161.44 36.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.424 -0.353 . . . . 0.97 110.145 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -84.95 148.41 50.75 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.852 -0.613 . . . . 0.81 109.764 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -51.71 -28.86 31.31 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.994 3.129 . . . . 0.73 114.867 -168.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.5 m -81.06 -2.06 46.65 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.815 -0.553 . . . . 0.89 112.288 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.37 163.43 27.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.953 -0.758 . . . . 1.37 108.953 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.614 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 74.5 p -118.3 155.86 29.88 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 0.32 111.427 -176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.509 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 30.6 mm -53.17 -34.36 21.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.516 -0.765 . . . . 0.24 110.571 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.71 110.867 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.614 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 75.7 mm-40 -69.28 -38.76 78.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.026 0.441 . . . . 0.7 109.844 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 98' ' ' ILE . 44.9 mt -63.08 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 0.21 109.713 174.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HG3' HD12 ' A' ' 117' ' ' ILE . 2.4 mptm? -62.96 -51.64 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 0.94 111.432 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -54.07 -27.05 30.09 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.83 110.268 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.664 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 61.1 t-80 -76.29 -44.51 36.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.324 -0.853 . . . . 1.21 109.298 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.432 HD12 HG21 ' A' ' 117' ' ' ILE . 65.1 mt -66.28 -31.48 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 0.18 110.09 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 114' ' ' ILE . 74.2 mt -65.8 -48.71 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.17 110.403 172.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.6 p -68.72 -23.7 64.38 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.869 -0.605 . . . . 0.61 111.468 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 14.5 pt-20 -99.26 13.28 33.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.102 0.477 . . . . 0.42 111.048 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.84 44.6 28.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.28 -0.873 . . . . 1.86 112.311 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.475 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 30.5 mmtp -104.94 -1.29 26.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.567 -0.742 . . . . 1.22 109.15 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -162.28 -179.89 7.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.868 -1.06 . . . . 0.29 110.778 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.2 m -103.16 -60.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.521 . . . . 1.23 110.916 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -130.72 169.44 15.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.622 -0.263 . . . . 1.47 110.963 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.477 ' N ' HD11 ' A' ' 106' ' ' ILE . 38.9 pt -59.67 -42.83 89.79 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 121.265 0.555 . . . . 0.26 111.092 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 114' ' ' ILE . 5.1 p -74.35 -23.93 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.739 0.644 . . . . 1.5 112.739 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -74.34 -0.65 17.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.494 0.664 . . . . 0.8 110.296 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.542 HD12 ' HG3' ' A' ' 102' ' ' LYS . 56.6 mt -111.84 116.93 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.527 -1.215 . . . . 0.26 109.323 176.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -103.72 113.59 27.21 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.536 -0.542 . . . . 1.01 109.536 176.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.435 HD22 HG21 ' A' ' 144' ' ' ILE . 17.6 mt -100.66 123.82 45.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.538 -0.542 . . . . 0.73 109.538 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -122.15 134.17 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.23 110.304 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.4 HD22 HG22 ' A' ' 137' ' ' VAL . 52.3 tp -114.98 110.76 20.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.902 -0.59 . . . . 1.36 109.606 176.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.9 tptt 62.59 31.69 16.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 2.47 110.277 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.81 -5.04 85.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.973 -0.632 . . . . 0.47 112.649 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -83.71 125.27 31.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.728 0.299 . . . . 1.94 110.348 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.86 112.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.856 -0.611 . . . . 0.3 110.657 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 135' ' ' LEU . 27.6 mt -86.31 139.96 30.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.222 -0.659 . . . . 0.31 109.222 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -84.45 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.985 -0.286 . . . . 1.67 110.944 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -46.72 -47.47 20.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.773 0.671 . . . . 0.45 112.477 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -115.12 29.67 7.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.434 0.902 . . . . 1.91 113.434 -174.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 129.5 39.95 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.097 -0.377 . . . . 0.39 110.687 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 29.3 m-85 -74.5 142.81 44.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.808 0.337 . . . . 0.47 111.001 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.71 -15.36 61.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 0.28 111.628 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.9 m -76.42 -20.54 56.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 1.25 110.382 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.013 -0.736 . . . . 1.93 109.013 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 126' ' ' LEU . 59.8 mt -71.16 -52.81 17.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.102 -0.954 . . . . 0.42 110.341 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 58.33 58.55 3.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.897 -0.592 . . . . 2.87 110.417 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.4 HG22 HD22 ' A' ' 121' ' ' LEU . 4.8 t -71.32 102.97 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 0.48 110.159 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.5 p -76.52 145.26 75.24 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.451 -0.795 . . . . 0.88 110.395 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -50.37 -25.81 14.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.57 2.847 . . . . 0.93 113.272 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.56 -19.7 57.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.368 -0.378 . . . . 0.89 111.342 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -125.8 39.46 3.95 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.546 -0.539 . . . . 1.1 109.546 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.8 p -78.85 -8.27 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.73 -0.668 . . . . 1.23 112.532 -171.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 36.9 m -76.2 111.26 11.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.48 110.922 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.435 HG21 HD22 ' A' ' 119' ' ' LEU . 29.3 mm -107.54 136.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.783 -0.644 . . . . 0.27 110.075 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 9.4 m -92.42 111.83 23.55 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.233 -0.654 . . . . 0.21 109.233 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.585 HG22 HG13 ' A' ' 148' ' ' ILE . 14.0 p -107.32 113.01 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.151 0.977 . . . . 0.2 110.649 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 62.5 mtt -102.32 101.29 11.54 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.225 -0.898 . . . . 1.62 109.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.585 HG13 HG22 ' A' ' 146' ' ' VAL . 63.0 mt -118.15 137.31 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 CA-C-N 116.209 -0.451 . . . . 0.19 110.616 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.3 mmmm -126.62 100.45 28.5 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.365 -0.605 . . . . 1.18 109.365 173.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo . . . . . 0 C--O 1.235 0.335 0 C-N-CA 122.905 2.403 . . . . 0.78 112.16 -178.205 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.963 0.411 . . . . 0.54 110.367 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.5 m -94.54 96.61 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.137 0.494 . . . . 0.26 109.793 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -83.03 100.92 10.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.638 -0.71 . . . . 0.72 110.076 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -90.88 116.82 29.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.006 0.431 . . . . 1.39 110.134 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 86.8 tttt -99.13 110.73 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.849 -0.614 . . . . 0.4 110.502 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.8 pt -112.62 28.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 0.64 111.757 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -106.09 -91.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 1.22 111.396 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.53 138.16 2.88 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 110.366 -0.235 . . . . 0.6 110.366 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -80.53 12.8 24.14 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.697 -1.376 . . . . 0.77 112.192 -1.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm 72.1 148.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.243 -0.89 . . . . 1.96 112.665 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -178.9 -177.24 0.48 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.16 -0.927 . . . . 0.32 109.586 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -140.99 119.09 11.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.77 0.319 . . . . 1.32 110.192 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.36 150.21 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.356 -0.384 . . . . 0.38 111.166 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -120.41 117.3 27.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.174 -0.467 . . . . 1.45 109.849 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -133.44 132.68 41.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.155 -0.475 . . . . 2.42 109.963 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.89 142.29 38.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.349 0.595 . . . . 1.83 110.919 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CE1' HG12 ' A' ' 101' ' ' ILE . 45.3 m-85 -140.49 173.01 11.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.108 -0.951 . . . . 0.97 108.939 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.1 m -104.61 150.68 38.83 Favored Pre-proline 0 C--N 1.315 -0.914 0 O-C-N 122.116 -0.365 . . . . 0.81 110.123 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.18 -38.77 33.6 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.753 2.302 . . . . 0.73 113.806 -172.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -80.1 -2.2 43.43 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.854 -0.529 . . . . 0.89 112.25 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -76.45 161.48 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.116 -0.698 . . . . 1.37 109.116 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 p -108.17 156.21 19.57 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.839 0.352 . . . . 0.32 110.698 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.585 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 36.0 mm -57.57 -29.24 33.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 0.24 110.216 173.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.28 -32.08 71.91 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.386 -0.37 . . . . 0.71 110.629 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -64.41 -42.19 96.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.7 109.296 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.634 HG12 ' CE1' ' A' ' 92' ' ' PHE . 48.7 mt -66.76 -44.16 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.136 -0.938 . . . . 0.21 110.1 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 31.1 mmtp -58.07 -57.7 11.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.22 -0.9 . . . . 0.94 110.967 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' A' ' 106' ' ' ILE . 64.8 mm-40 -60.57 -24.06 65.14 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.83 111.054 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.703 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 50.3 t-80 -72.89 -46.79 50.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.95 -0.759 . . . . 1.21 108.95 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 117' ' ' ILE . 65.4 mt -64.51 -36.27 83.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.18 110.283 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.496 HD11 ' N ' ' A' ' 114' ' ' ILE . 79.4 mt -60.02 -48.01 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.968 0.413 . . . . 0.17 110.523 173.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.4 p -68.18 -23.46 64.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 0.61 111.656 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.703 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.5 pt-20 -101.66 18.75 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 0.42 111.197 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.82 28.86 17.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.729 -0.669 . . . . 1.86 112.63 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.548 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.0 mmtm -88.99 -23.45 22.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.333 -0.394 . . . . 1.22 110.308 177.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.34 167.47 27.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 0.29 111.31 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.1 m -86.55 -55.47 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 1.23 111.395 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.505 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 68.0 m80 -133.52 169.12 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.707 -0.224 . . . . 1.47 110.777 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.496 ' N ' HD11 ' A' ' 106' ' ' ILE . 20.3 pt -58.67 -47.68 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 112.345 0.498 . . . . 0.26 112.345 -174.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 m -83.86 -5.63 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.971 0.36 . . . . 1.5 111.971 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 16.8 mm-40 -75.18 -6.89 52.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.968 0.89 . . . . 0.8 108.945 173.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.524 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 46.8 mt -105.52 112.64 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 113.466 -1.697 . . . . 0.26 108.742 173.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 147' ' ' MET . 0.4 OUTLIER -99.44 113.06 25.2 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.093 -0.706 . . . . 1.01 109.093 177.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 98' ' ' ILE . 29.4 mt -102.51 131.23 49.36 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.805 0.336 . . . . 0.73 110.311 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 mp -133.88 142.68 47.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.986 -0.552 . . . . 0.23 109.878 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.9 tp -114.28 99.28 7.48 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.539 -0.541 . . . . 1.36 109.539 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 53.12 42.46 32.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.481 -0.781 . . . . 2.47 111.212 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.95 -21.91 42.64 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.499 -0.773 . . . . 0.47 112.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -75.87 116.67 16.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.822 0.344 . . . . 1.94 110.579 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.93 120.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.974 -0.557 . . . . 0.3 110.909 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.599 HD22 HD22 ' A' ' 135' ' ' LEU . 32.5 mt -96.77 129.64 44.16 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.89 -0.781 . . . . 0.31 108.89 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -79.97 166.95 21.09 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.038 -0.265 . . . . 1.67 111.261 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -57.27 -46.85 82.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.923 0.342 . . . . 0.45 111.923 -174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -115.92 29.99 7.63 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.131 0.491 . . . . 1.91 111.759 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 135.47 43.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.987 -0.446 . . . . 0.39 109.998 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 61.7 m-85 -73.02 144.24 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.47 110.701 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.66 -15.04 61.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.28 111.766 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.95 -32.04 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 1.25 110.778 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.99 -21.54 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.809 -0.632 . . . . 1.93 110.24 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.599 HD22 HD22 ' A' ' 126' ' ' LEU . 23.0 mt -89.79 -52.8 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.576 -0.738 . . . . 0.42 110.126 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 136' ' ' LYS . 4.4 ttmp? 60.36 77.32 0.33 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.236 -0.893 . . . . 2.87 111.272 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.64 102.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.48 109.635 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 31.8 p -75.86 145.21 77.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.074 -0.512 . . . . 0.88 110.016 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.94 -22.19 37.11 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.064 2.509 . . . . 0.93 113.057 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.02 31.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.89 110.837 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.12 41.13 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.236 -0.653 . . . . 1.1 109.236 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.3 p -81.93 6.18 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.467 -0.788 . . . . 1.23 112.461 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 17.6 m -78.68 109.81 13.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.102 0.477 . . . . 0.48 110.686 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.404 HG21 HD22 ' A' ' 119' ' ' LEU . 37.4 mm -111.21 142.4 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.872 -0.604 . . . . 0.27 110.111 -178.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 28.8 m -96.93 118.86 34.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.486 -0.561 . . . . 0.21 109.486 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 148' ' ' ILE . 14.6 p -118.93 115.43 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 122.06 0.933 . . . . 0.2 110.858 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.415 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 57.0 mtm -101.71 101.29 11.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.3 -0.863 . . . . 1.62 109.468 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 146' ' ' VAL . 53.4 mt -113.58 137.04 48.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.393 -0.367 . . . . 0.19 110.083 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 88.8 24.92 Favored Pre-proline 0 C--N 1.318 -0.793 0 N-CA-C 108.971 -0.751 . . . . 1.18 108.971 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo . . . . . 0 C--N 1.344 0.298 0 C-N-CA 122.734 2.289 . . . . 0.78 112.767 -176.08 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.887 0.375 . . . . 0.54 110.645 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 48.9 m -89.79 93.94 9.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.749 -0.463 . . . . 0.26 109.749 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HB2' HG13 ' A' ' 88' ' ' ILE . 14.2 mt -81.98 97.35 8.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.976 -0.556 . . . . 0.72 109.554 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.78 116.37 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.39 110.598 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 87.4 tttt -98.65 111.1 23.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 0.4 110.769 -176.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.9 pt -114.24 20.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.891 -0.595 . . . . 0.64 111.988 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -101.54 -88.71 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.723 -0.391 . . . . 1.22 111.492 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.5 143.01 2.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 122.404 -0.185 . . . . 0.6 110.668 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -76.53 13.46 9.53 Favored 'Cis proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.953 -1.27 . . . . 0.77 113.232 -7.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.6 mttp 74.67 147.13 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.733 0.813 . . . . 1.96 112.446 173.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -173.73 178.01 2.35 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.73 -0.668 . . . . 0.32 109.941 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.8 p -136.38 119.52 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.706 0.289 . . . . 1.32 110.417 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.429 HG13 ' HB2' ' A' ' 78' ' ' LEU . 24.6 pt -132.81 143.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.38 110.829 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -119.69 121.44 39.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.366 -0.379 . . . . 1.45 109.996 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -132.82 131.29 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.038 -0.528 . . . . 2.42 110.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -105.23 142.61 34.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.833 0.349 . . . . 1.83 110.213 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.63 173.23 11.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.126 -0.488 . . . . 0.97 110.522 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.1 m -81.27 140.63 49.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.81 110.024 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -63.56 -7.92 13.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.366 2.711 . . . . 0.73 114.66 -173.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -114.23 10.42 17.24 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.807 -0.558 . . . . 0.89 111.378 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.51 171.32 13.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.691 -0.485 . . . . 1.37 109.691 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 p -109.08 147.99 31.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.024 0.44 . . . . 0.32 111.286 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.536 HD13 HD12 ' A' ' 101' ' ' ILE . 41.8 mm -55.85 -24.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.414 -0.812 . . . . 0.24 110.532 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.22 -39.48 79.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 0.71 110.452 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 51.6 mm-40 -71.46 -34.11 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.993 0.425 . . . . 0.7 110.121 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.536 HD12 HD13 ' A' ' 98' ' ' ILE . 38.1 mt -67.92 -45.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.21 110.041 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 81.8 mttt -64.28 -47.48 79.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.639 -0.71 . . . . 0.94 110.864 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -61.91 -23.69 66.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.015 0.436 . . . . 0.83 110.6 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.615 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 5.8 t60 -79.82 -35.91 37.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.716 -0.674 . . . . 1.21 109.457 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.417 HD12 HD13 ' A' ' 117' ' ' ILE . 54.7 mt -71.41 -31.93 67.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.632 -0.507 . . . . 0.18 109.632 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.537 HD11 ' N ' ' A' ' 114' ' ' ILE . 74.0 mt -63.5 -45.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.172 0.51 . . . . 0.17 110.144 171.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.7 p -71.06 -27.09 63.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.761 -0.654 . . . . 0.61 111.754 -173.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.6 pt-20 -95.81 18.01 14.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.897 0.379 . . . . 0.42 110.845 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 56.33 37.34 28.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.642 -0.708 . . . . 1.86 112.499 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.5 mmtp -99.96 -11.64 20.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.066 0.46 . . . . 1.22 109.934 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.94 167.71 26.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.419 -0.81 . . . . 0.29 110.671 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.4 m -92.05 -56.54 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 1.23 111.088 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -135.27 165.85 24.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.277 -0.638 . . . . 1.47 109.277 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.567 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 28.5 pt -57.57 -46.3 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.023 0.44 . . . . 0.26 111.354 -176.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' HG13 ' A' ' 114' ' ' ILE . 47.9 t -74.22 -5.98 45.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.678 0.621 . . . . 1.5 112.678 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.39 -6.66 59.53 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.596 -0.89 . . . . 0.8 108.596 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.417 HD13 HD12 ' A' ' 105' ' ' LEU . 62.0 mt -105.6 119.33 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 113.952 -1.476 . . . . 0.26 109.664 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -111.43 113.07 25.26 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.399 -0.593 . . . . 1.01 109.399 175.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.444 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 33.9 mt -100.75 130.32 46.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.982 -0.377 . . . . 0.73 109.982 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.22 131.35 48.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.928 -0.397 . . . . 0.23 109.928 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 144' ' ' ILE . 1.8 tm? -124.78 111.46 15.56 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.508 -0.552 . . . . 1.36 109.508 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp 60.93 40.85 15.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.641 -0.709 . . . . 2.47 110.714 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.0 4.12 88.54 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.844 -0.617 . . . . 0.47 112.849 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -93.86 122.12 36.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 1.94 110.921 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 72.8 t -70.12 109.14 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.752 -0.658 . . . . 0.3 110.564 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 135' ' ' LEU . 21.6 mt -84.88 132.12 34.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.345 -0.613 . . . . 0.31 109.345 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -85.96 170.26 12.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.172 -0.467 . . . . 1.67 111.395 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -51.22 -44.94 61.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.991 -0.55 . . . . 0.45 111.776 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -114.57 29.6 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.028 0.751 . . . . 1.91 113.028 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.465 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.38 129.27 39.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 0.39 110.447 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 60.1 m-85 -75.12 138.73 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.428 -0.351 . . . . 0.47 110.783 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.15 -15.49 63.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.316 -0.402 . . . . 0.28 110.975 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 p -68.2 -26.42 65.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.257 -0.429 . . . . 1.25 111.027 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.72 -18.42 26.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.391 0.615 . . . . 1.93 110.05 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 126' ' ' LEU . 37.1 mt -87.64 -53.89 4.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.302 -0.863 . . . . 0.42 110.306 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 54.98 67.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.921 0.763 . . . . 2.87 110.922 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.445 ' CG1' ' HA ' ' A' ' 142' ' ' SER . 42.3 t -73.83 101.47 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.52 -0.763 . . . . 0.48 109.896 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 139' ' ' PRO . 29.7 p -91.64 164.81 22.73 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.654 -0.703 . . . . 0.88 110.312 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 138' ' ' THR . 82.2 Cg_exo -47.38 -43.82 25.97 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.781 2.32 . . . . 0.93 113.288 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.74 -19.42 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.592 -0.276 . . . . 0.89 111.685 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -118.35 31.17 6.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.614 -0.266 . . . . 1.1 111.022 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 137' ' ' VAL . 40.2 m -85.16 -4.55 59.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.111 -0.236 . . . . 1.23 111.628 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.2 m -83.1 106.35 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.023 0.44 . . . . 0.48 110.184 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.461 HD13 HD23 ' A' ' 121' ' ' LEU . 10.5 mm -106.5 136.53 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.978 -0.555 . . . . 0.27 110.091 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.7 m -88.99 114.23 25.38 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.426 -0.583 . . . . 0.21 109.426 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 148' ' ' ILE . 11.3 p -112.53 113.93 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 122.279 1.038 . . . . 0.2 111.056 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 76.6 mtp -101.87 100.98 11.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.881 -1.054 . . . . 1.62 109.134 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.589 HG13 HG22 ' A' ' 146' ' ' VAL . 39.8 mt -119.53 133.04 67.62 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 CA-C-N 116.476 -0.329 . . . . 0.19 110.18 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 11.7 mmmm -125.79 86.69 57.16 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 109.198 -0.667 . . . . 1.18 109.198 175.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 C-N-CA 123.158 2.572 . . . . 0.78 111.514 -178.08 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.54 111.011 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.2 m -96.52 93.42 6.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.521 -0.548 . . . . 0.26 109.521 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 119' ' ' LEU . 13.9 mt -80.28 98.2 7.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.72 109.8 -175.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -89.72 112.85 24.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.891 -0.595 . . . . 1.39 110.385 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.3 tttt -93.48 111.06 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.4 110.464 -175.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 pt -111.02 33.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.085 -0.507 . . . . 0.64 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -114.68 -91.77 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.936 -0.305 . . . . 1.22 111.647 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.04 136.98 4.68 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.359 -0.237 . . . . 0.6 110.359 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.59 10.43 40.0 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.55 -1.438 . . . . 0.77 112.146 -3.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 75.79 150.37 0.11 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.998 -1.001 . . . . 1.96 112.502 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 1.5 p90 -178.71 -177.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.929 -1.032 . . . . 0.32 109.181 176.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -140.86 113.45 8.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.01 -0.367 . . . . 1.32 110.01 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 pt -116.68 132.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.38 110.853 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.06 116.16 31.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.03 0.443 . . . . 1.45 109.895 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -128.16 131.1 48.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 2.42 110.516 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -103.75 120.65 41.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.115 -0.493 . . . . 1.83 110.07 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.486 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.5 m-85 -124.41 155.1 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 0.97 110.788 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -66.12 141.27 97.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.81 110.658 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.96 -7.28 9.31 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.303 2.669 . . . . 0.73 113.966 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -112.88 7.46 18.34 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.662 -0.415 . . . . 0.89 111.589 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -81.85 169.99 16.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.026 -0.361 . . . . 1.37 110.026 176.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.6 p -107.06 156.3 18.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.009 0.433 . . . . 0.32 111.121 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.493 HG23 HD12 ' A' ' 119' ' ' LEU . 38.7 mm -59.28 -25.69 31.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.685 -0.688 . . . . 0.24 109.988 172.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.38 -39.83 84.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.705 -0.68 . . . . 0.71 110.536 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.404 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 29.5 mm-40 -61.73 -43.5 98.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.956 -0.565 . . . . 0.7 110.028 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 41.5 mt -65.15 -42.72 94.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.279 -0.873 . . . . 0.21 110.357 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.52 ' HD3' ' HB ' ' A' ' 114' ' ' ILE . 37.5 mttp -63.25 -50.04 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.631 -0.713 . . . . 0.94 111.522 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -59.9 -25.81 65.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.287 0.565 . . . . 0.83 110.479 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 19.6 t60 -77.5 -40.24 43.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.419 -0.809 . . . . 1.21 109.605 -176.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 39.4 mt -69.98 -32.78 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.015 -0.539 . . . . 0.18 110.204 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 114' ' ' ILE . 68.4 mt -64.25 -42.74 96.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.479 0.657 . . . . 0.17 109.531 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -63.72 -40.07 95.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.8 -1.091 . . . . 0.61 111.411 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.7 pt-20 -94.76 21.02 7.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.793 0.33 . . . . 0.42 111.75 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 55.15 44.92 27.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.644 -0.707 . . . . 1.86 112.214 174.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.489 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 41.9 mmtm -107.01 -8.39 16.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.952 -0.567 . . . . 1.22 110.147 177.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -152.0 178.92 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.29 110.954 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 t -103.48 -53.32 2.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 1.23 110.019 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.445 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 44.8 m80 -136.01 171.3 14.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.879 -0.415 . . . . 1.47 109.879 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.52 ' HB ' ' HD3' ' A' ' 102' ' ' LYS . 17.7 pt -59.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 120.594 0.235 . . . . 0.26 111.574 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 114' ' ' ILE . 14.9 t -74.08 -7.34 52.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.021 0.378 . . . . 1.5 112.021 -175.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 39.2 mm-40 -80.9 3.74 21.73 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.781 0.801 . . . . 0.8 109.495 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.412 ' HA ' HG12 ' A' ' 148' ' ' ILE . 60.7 mt -114.05 106.11 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 113.939 -1.482 . . . . 0.26 109.504 177.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.439 ' NZ ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -98.06 112.84 24.64 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.21 -0.663 . . . . 1.01 109.21 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.493 HD12 HG23 ' A' ' 98' ' ' ILE . 19.3 mt -104.1 129.33 51.79 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.809 0.338 . . . . 0.73 110.235 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 mp -127.89 134.58 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 0.23 109.62 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.8 tt -113.89 102.58 10.35 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.59 -0.893 . . . . 1.36 108.59 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 62.47 32.62 16.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.668 0.747 . . . . 2.47 109.834 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.79 -18.83 56.69 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.541 -0.754 . . . . 0.47 112.579 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -73.47 124.18 25.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.579 0.228 . . . . 1.94 110.742 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.439 HG13 ' NZ ' ' A' ' 118' ' ' LYS . 55.4 t -69.16 122.04 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 0.3 111.091 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.596 HD22 HD22 ' A' ' 135' ' ' LEU . 19.2 mt -96.95 139.72 32.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.704 -0.85 . . . . 0.31 108.704 173.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -85.94 178.07 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.992 -0.373 . . . . 1.67 109.992 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.502 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 5.9 p-10 -61.32 -44.18 97.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.74 -0.209 . . . . 0.45 111.516 -177.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -115.13 27.98 9.01 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.331 0.493 . . . . 1.91 112.331 -174.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.427 HD12 HD21 ' A' ' 135' ' ' LEU . 0.2 OUTLIER -63.92 132.03 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.146 -0.316 . . . . 0.39 110.146 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 60.0 m-85 -78.35 138.67 38.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.412 . . . . 0.47 110.666 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.01 -15.34 63.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.587 . . . . 0.28 111.588 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 p -69.71 -24.98 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.077 0.465 . . . . 1.25 110.814 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -91.07 -20.86 21.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 1.93 109.587 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.596 HD22 HD22 ' A' ' 126' ' ' LEU . 35.5 mt -83.72 -58.05 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.358 -0.837 . . . . 0.42 110.87 -177.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.67 72.43 0.53 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.712 0.633 . . . . 2.87 111.573 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 37.9 t -79.94 103.07 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.48 109.779 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.7 p -88.71 161.96 40.2 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.999 -0.546 . . . . 0.88 110.818 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.23 -46.72 21.88 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.625 2.217 . . . . 0.93 113.078 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.45 -6.79 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.89 111.957 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -126.5 31.6 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.216 0.531 . . . . 1.1 109.773 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.9 p -79.6 -17.35 54.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.566 -0.743 . . . . 1.23 111.663 -173.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 43.5 m -73.18 104.93 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 0.48 110.306 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.405 HG21 HD22 ' A' ' 119' ' ' LEU . 35.1 mm -106.19 143.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.784 -0.643 . . . . 0.27 109.843 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 m -95.19 119.16 33.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.684 -0.487 . . . . 0.21 109.684 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 7.2 p -119.68 121.75 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-O 122.115 0.96 . . . . 0.2 110.867 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.423 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 55.9 mtt -105.36 101.14 10.7 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.014 -0.993 . . . . 1.62 108.875 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.565 HG13 HG22 ' A' ' 146' ' ' VAL . 45.6 mt -119.64 137.65 52.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.33 -0.395 . . . . 0.19 110.397 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.502 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.9 mmmm -125.43 104.72 28.11 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.213 -0.662 . . . . 1.18 109.213 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo . . . . . 0 N--CA 1.461 -0.394 0 C-N-CA 122.753 2.302 . . . . 0.78 112.24 -179.23 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.188 -0.301 . . . . 0.54 110.188 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 m -90.56 92.56 8.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.47 -0.567 . . . . 0.26 109.47 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.64 104.62 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.797 -0.638 . . . . 0.72 109.784 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -98.52 114.1 26.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.967 0.413 . . . . 1.39 110.42 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 84.9 tttt -98.26 105.53 17.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.663 -0.699 . . . . 0.4 110.946 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.25 40.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.598 -0.728 . . . . 0.64 110.731 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.8 mm-40 -116.49 -88.13 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.834 -0.621 . . . . 1.22 111.684 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.59 133.75 1.73 Allowed Pre-proline 0 N--CA 1.465 0.305 0 CA-C-O 120.342 0.115 . . . . 0.6 110.703 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.1 12.91 26.33 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 124.212 -1.161 . . . . 0.77 112.051 -1.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt 74.91 147.98 0.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.356 -0.838 . . . . 1.96 112.12 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.483 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.2 p90 -179.01 173.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.266 -0.879 . . . . 0.32 109.267 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 p -132.34 121.16 23.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.838 0.351 . . . . 1.32 110.362 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 pt -127.25 158.47 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 0.38 110.807 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -130.33 131.85 45.57 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.769 -0.826 . . . . 1.45 108.769 169.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -130.19 135.27 47.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.338 -0.392 . . . . 2.42 110.647 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.95 123.67 40.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.981 -0.554 . . . . 1.83 110.88 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 101' ' ' ILE . 38.5 m-85 -135.88 167.06 21.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 0.97 110.661 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -93.23 147.36 33.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.91 -0.587 . . . . 0.81 110.548 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.82 -10.06 21.13 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.22 2.613 . . . . 0.73 114.771 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -114.0 10.38 17.54 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.686 -0.634 . . . . 0.89 111.087 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.3 168.47 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.197 -0.668 . . . . 1.37 109.197 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -108.63 148.05 30.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.128 0.489 . . . . 0.32 111.075 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.546 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 28.1 mm -55.85 -27.72 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.306 -0.861 . . . . 0.24 110.538 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.64 -36.99 74.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.71 110.432 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -63.79 -40.8 97.52 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.562 -0.532 . . . . 0.7 109.562 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 92' ' ' PHE . 22.9 mt -67.86 -42.86 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 0.21 110.267 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 33.2 mmtp -59.13 -55.36 36.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.46 -0.791 . . . . 0.94 110.86 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -63.11 -21.41 66.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.83 110.751 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.67 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 58.1 t-80 -73.45 -42.63 61.73 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.81 -0.811 . . . . 1.21 108.81 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 117' ' ' ILE . 81.2 mt -69.37 -33.92 73.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 0.18 110.593 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.5 HD11 ' N ' ' A' ' 114' ' ' ILE . 67.0 mt -61.7 -51.31 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.31 0.576 . . . . 0.17 110.335 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 p -69.55 -24.11 63.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 0.61 111.87 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.8 pt-20 -96.82 17.64 16.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.787 0.327 . . . . 0.42 111.178 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 56.68 39.2 29.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.806 -0.634 . . . . 1.86 112.138 174.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.503 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.0 mmtp -105.16 -7.2 19.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.506 0.669 . . . . 1.22 109.349 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.68 178.74 8.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.9 -1.045 . . . . 0.29 110.385 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.516 ' HB3' ' HG3' ' A' ' 116' ' ' GLU . 40.1 t -108.86 -51.82 2.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.062 -0.517 . . . . 1.23 111.133 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.443 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 14.2 m80 -127.54 167.91 15.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.621 -0.511 . . . . 1.47 109.621 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.506 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 29.8 pt -62.08 -33.26 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.445 0.641 . . . . 0.26 110.185 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.8 p -85.63 -6.0 59.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.302 -0.863 . . . . 1.5 112.673 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HG3' ' HB3' ' A' ' 112' ' ' SER . 46.7 mm-40 -82.06 -2.81 53.06 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.828 -0.804 . . . . 0.8 108.828 174.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.499 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 33.1 mt -116.41 108.4 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 114.29 -1.323 . . . . 0.26 110.049 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -99.2 112.5 24.64 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.171 -0.677 . . . . 1.01 109.171 175.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.459 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 39.7 mt -98.28 125.3 43.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.66 -0.496 . . . . 0.73 109.66 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 3.7 mp -127.3 137.17 52.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.904 -0.406 . . . . 0.23 109.904 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 35.9 tp -114.72 100.77 8.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.295 -0.412 . . . . 1.36 109.969 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 43.2 tttp 58.44 38.04 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.72 -0.673 . . . . 2.47 110.472 176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.71 -15.54 59.6 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.848 -0.615 . . . . 0.47 112.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 55.7 tptt -81.76 121.11 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 1.94 110.914 -178.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 87.2 t -74.91 112.2 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.3 110.757 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.695 HD22 HD22 ' A' ' 135' ' ' LEU . 17.1 mt -90.25 131.11 36.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 0.31 109.197 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -85.9 170.76 12.05 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.958 -0.297 . . . . 1.67 111.394 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -49.15 -50.78 35.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.45 112.516 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -114.92 30.51 7.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.021 0.438 . . . . 1.91 111.884 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -64.4 133.06 51.81 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.966 -0.459 . . . . 0.39 109.931 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.02 137.73 37.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 0.47 110.59 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.74 -15.51 63.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 0.28 111.235 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.3 p -69.88 -29.27 66.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 1.25 110.778 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -82.73 -27.6 31.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.419 0.628 . . . . 1.93 109.596 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.695 HD22 HD22 ' A' ' 126' ' ' LEU . 31.4 mt -81.78 -55.56 4.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.29 -0.868 . . . . 0.42 110.703 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.5 tptp 56.32 69.79 0.71 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.356 -0.838 . . . . 2.87 110.473 -176.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.5 t -73.96 102.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.446 -0.797 . . . . 0.48 109.843 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 22.9 p -85.35 161.79 50.58 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.401 -0.818 . . . . 0.88 110.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -46.96 -46.37 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.816 2.344 . . . . 0.93 113.012 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.15 -20.53 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 0.89 111.688 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -115.93 30.06 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.998 0.428 . . . . 1.1 110.486 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.7 p -79.59 -18.74 50.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.093 -0.503 . . . . 1.23 111.895 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.8 m -76.63 113.69 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 0.48 110.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.437 HG21 HD22 ' A' ' 119' ' ' LEU . 27.4 mm -111.06 138.99 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.27 110.444 -176.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.8 m -86.96 107.59 18.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.54 -0.541 . . . . 0.21 109.54 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 148' ' ' ILE . 13.2 p -108.62 112.03 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.16 0.981 . . . . 0.2 111.091 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 81.9 mtp -99.05 102.38 14.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.028 -0.987 . . . . 1.62 109.585 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.593 HG13 HG22 ' A' ' 146' ' ' VAL . 72.1 mt -119.63 139.09 48.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.333 -0.394 . . . . 0.19 111.04 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.506 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.6 mmtp -135.12 108.37 10.46 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 108.266 -1.013 . . . . 1.18 108.266 170.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.233 0.27 0 C-N-CA 122.532 2.155 . . . . 0.78 111.97 -178.121 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.931 0.396 . . . . 0.54 110.955 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.9 m -103.12 93.25 4.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.356 -0.609 . . . . 0.26 109.356 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.1 102.29 10.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.669 -0.696 . . . . 0.72 109.867 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -93.15 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.872 0.368 . . . . 1.39 110.447 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 85.5 tttt -99.8 110.26 22.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 0.4 110.61 -176.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 pt -113.21 42.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.425 0.631 . . . . 0.64 110.685 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.538 ' HB3' ' CD ' ' A' ' 149' ' ' LYS . 26.4 mm-40 -116.19 -95.2 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 1.22 111.719 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.57 136.55 3.58 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 110.627 -0.138 . . . . 0.6 110.627 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.4 16.58 12.94 Favored 'Cis proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.624 -1.407 . . . . 0.77 112.823 -6.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 74.65 154.47 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.522 0.729 . . . . 1.96 112.387 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.574 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 0.4 OUTLIER 179.84 -177.25 0.35 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.664 0.786 . . . . 0.32 109.79 174.271 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.4 m -141.11 124.36 16.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.5 -0.556 . . . . 1.32 109.5 171.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.32 138.88 53.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 0.38 110.9 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.32 117.1 33.19 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.129 0.49 . . . . 1.45 109.73 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . 1.5 m-70 -127.31 121.19 30.4 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.851 -0.613 . . . . 2.42 109.914 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.18 135.23 42.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.204 -0.453 . . . . 1.83 110.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 90' ' ' HIS . 72.2 m-85 -142.16 163.91 31.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.111 -0.495 . . . . 0.97 110.426 -178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -78.85 150.28 75.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.778 -0.646 . . . . 0.81 109.763 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.3 -4.93 11.45 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.954 2.436 . . . . 0.73 113.76 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.1 m -105.23 5.76 32.36 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.677 -0.409 . . . . 0.89 110.98 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.42 173.95 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.272 -0.64 . . . . 1.37 109.272 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.505 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 57.3 p -126.41 151.28 47.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.49 . . . . 0.32 110.847 -177.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.469 HD13 HD12 ' A' ' 101' ' ' ILE . 47.0 mm -60.78 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.425 -0.807 . . . . 0.24 110.913 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.96 -36.92 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.014 -0.365 . . . . 0.71 110.014 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.505 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 27.7 mm-40 -70.41 -33.05 70.92 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.819 -0.353 . . . . 0.7 110.316 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.469 HD12 HD13 ' A' ' 98' ' ' ILE . 43.4 mt -69.91 -42.62 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.218 0.532 . . . . 0.21 109.877 176.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HD3' ' HB ' ' A' ' 114' ' ' ILE . 39.9 mttp -62.1 -50.62 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 0.94 110.937 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -58.22 -29.73 65.94 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.266 0.555 . . . . 0.83 110.423 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.674 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 51.9 t-80 -71.82 -45.97 59.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.38 -0.827 . . . . 1.21 109.172 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 42.9 mt -64.25 -35.42 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.604 . . . . 0.18 110.162 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.494 HD11 ' N ' ' A' ' 114' ' ' ILE . 73.7 mt -60.97 -50.1 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 0.17 110.2 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.2 p -66.41 -22.6 66.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.666 -0.697 . . . . 0.61 111.598 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.674 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -104.33 22.97 13.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.208 -0.308 . . . . 0.42 111.353 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.96 37.23 24.63 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.618 -0.719 . . . . 1.86 112.409 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 43.7 mmtm -103.08 -10.03 19.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.284 -0.416 . . . . 1.22 110.783 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.53 170.93 18.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.29 111.413 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 m -88.37 -61.19 1.77 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.813 -0.63 . . . . 1.23 110.938 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -133.78 171.58 13.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.955 -0.387 . . . . 1.47 109.955 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.591 ' HB ' ' HD3' ' A' ' 102' ' ' LYS . 23.1 pt -57.45 -51.65 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 112.088 0.403 . . . . 0.26 112.088 -172.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 114' ' ' ILE . 13.6 t -73.41 -8.3 55.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.076 0.398 . . . . 1.5 112.076 -175.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.15 -4.58 42.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.571 0.7 . . . . 0.8 109.513 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.416 ' HA ' HG12 ' A' ' 148' ' ' ILE . 54.6 mt -109.58 104.88 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.023 -1.444 . . . . 0.26 109.657 177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.11 113.23 25.05 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.24 -0.652 . . . . 1.01 109.24 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.446 HD12 HG23 ' A' ' 98' ' ' ILE . 30.3 mt -102.5 131.94 48.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.718 0.294 . . . . 0.73 110.347 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.03 132.13 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.133 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.0 tp -115.2 104.88 12.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.129 -0.487 . . . . 1.36 110.263 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt 60.7 41.86 14.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.475 0.655 . . . . 2.47 110.335 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.44 69.8 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.47 112.814 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -90.43 124.15 34.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 1.94 111.213 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.3 117.36 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.3 111.005 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 135' ' ' LEU . 46.2 mt -89.56 142.32 27.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.02 -0.734 . . . . 0.31 109.02 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -88.7 176.34 7.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.003 -0.279 . . . . 1.67 111.145 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.41 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 9.5 p-10 -61.11 -50.7 72.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.273 -0.421 . . . . 0.45 111.979 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -115.05 29.18 8.21 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.595 0.591 . . . . 1.91 112.595 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 134.87 54.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.796 0.331 . . . . 0.39 110.45 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -77.48 141.31 39.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.47 110.202 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.07 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.28 111.538 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 m -64.11 -39.22 93.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.22 0.533 . . . . 1.25 110.633 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.37 -30.59 53.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 1.93 109.981 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 126' ' ' LEU . 25.4 mt -75.15 -55.52 5.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.86 . . . . 0.42 110.785 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 61.3 tttp 57.44 72.74 0.5 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.752 -0.658 . . . . 2.87 111.052 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 141' ' ' ASN . 41.4 t -84.66 101.66 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.48 110.133 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 139' ' ' PRO . 40.2 p -91.76 167.53 15.17 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 0.88 109.975 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 138' ' ' THR . 80.7 Cg_exo -48.41 -35.12 27.28 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.126 1.884 . . . . 0.93 112.813 174.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.09 -28.25 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.89 111.594 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.431 ' O ' HG13 ' A' ' 137' ' ' VAL . 47.4 m-80 -113.79 27.69 9.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.258 -0.428 . . . . 1.1 110.075 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.2 p -75.05 -21.17 59.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.826 -0.625 . . . . 1.23 111.811 -172.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.4 m -72.99 110.7 7.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.131 0.491 . . . . 0.48 110.52 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.413 HG21 HD22 ' A' ' 119' ' ' LEU . 24.1 mm -113.27 137.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.946 -0.57 . . . . 0.27 109.849 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.3 m -92.51 113.79 26.17 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.414 -0.587 . . . . 0.21 109.414 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 148' ' ' ILE . 14.2 p -113.82 111.5 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 122.213 1.006 . . . . 0.2 110.906 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 15.4 mmt -98.73 101.46 12.88 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.988 -1.005 . . . . 1.62 109.22 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.597 HG13 HG22 ' A' ' 146' ' ' VAL . 55.0 mt -116.95 134.4 60.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.444 -0.344 . . . . 0.19 110.395 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.538 ' CD ' ' HB3' ' A' ' 82' ' ' GLN . 10.7 mmmm -128.01 91.03 45.88 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.791 -0.363 . . . . 1.18 110.061 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.78 111.577 178.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 76' ' ' LEU . 6.2 mp . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.037 0.446 . . . . 0.54 110.473 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -89.02 96.96 10.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.348 -0.612 . . . . 0.26 109.348 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.434 ' HB2' ' CG1' ' A' ' 88' ' ' ILE . 53.1 mt -79.75 96.62 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.639 0.733 . . . . 0.72 109.516 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -94.77 102.5 14.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.814 -1.085 . . . . 1.39 109.955 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 85.8 tttt -91.42 105.26 17.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 0.4 110.745 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.2 pt -106.74 27.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.607 -0.724 . . . . 0.64 110.743 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.488 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.3 mm-40 -102.38 -96.28 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.22 112.21 -175.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 84' ' ' PRO . . . -158.54 133.26 5.43 Favored Pre-proline 0 C--N 1.332 -0.172 0 O-C-N 122.375 -0.203 . . . . 0.6 110.829 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 83' ' ' ALA . 87.8 Cg_endo -83.71 18.48 22.51 Favored 'Cis proline' 0 C--N 1.346 0.447 0 C-N-CA 123.642 -1.399 . . . . 0.77 112.273 -2.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 74.7 143.13 0.07 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.189 -0.914 . . . . 1.96 112.803 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.46 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.7 p90 -170.11 175.62 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.721 -1.127 . . . . 0.32 108.32 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -144.2 116.1 8.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.027 0.441 . . . . 1.32 109.898 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 22.3 pt -119.41 159.41 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.856 -0.611 . . . . 0.38 110.772 -175.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -123.3 116.54 23.51 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.361 -0.607 . . . . 1.45 109.361 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . 1.8 m-70 -134.88 122.86 22.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.787 0.327 . . . . 2.42 110.729 -176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -95.25 145.39 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.857 0.36 . . . . 1.83 110.035 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 90' ' ' HIS . 97.7 m-85 -141.14 162.12 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.97 110.012 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -74.33 144.36 81.22 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.384 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.9 -3.54 10.7 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.896 2.397 . . . . 0.73 113.149 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -113.81 9.9 17.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.031 0.443 . . . . 0.89 110.526 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -82.57 172.46 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.711 . . . . 1.37 109.079 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.567 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 24.0 p -116.11 151.8 34.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.792 0.33 . . . . 0.32 110.965 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.7 mm -57.18 -29.4 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.803 -0.635 . . . . 0.24 110.364 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.31 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.71 110.403 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.567 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 32.2 mm-40 -67.49 -37.63 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.764 -0.458 . . . . 0.7 109.764 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 98' ' ' ILE . 53.8 mt -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.21 110.18 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.625 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 76.6 mttt -65.31 -47.96 74.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.574 -0.739 . . . . 0.94 110.797 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 106' ' ' ILE . 18.9 mm-40 -59.93 -25.35 65.09 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.369 0.604 . . . . 0.83 110.287 175.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.578 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.9 t60 -75.61 -41.29 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.145 -0.934 . . . . 1.21 109.419 -174.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.412 HD12 HG21 ' A' ' 117' ' ' ILE . 43.0 mt -68.92 -34.11 74.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.061 -0.518 . . . . 0.18 109.913 177.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 102' ' ' LYS . 75.7 mt -61.38 -47.72 92.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.17 110.257 173.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.7 p -65.85 -24.3 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.625 . . . . 0.61 111.877 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.7 pt-20 -106.8 20.42 19.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.723 -0.391 . . . . 0.42 111.474 178.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.51 41.45 28.67 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.767 -0.651 . . . . 1.86 112.29 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.4 mmtm -100.65 -11.0 20.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.925 -0.579 . . . . 1.22 109.75 174.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.89 -178.15 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.444 -0.798 . . . . 0.29 110.721 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.6 m -103.94 -59.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.262 -0.426 . . . . 1.23 111.642 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -133.16 173.72 11.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.763 -0.199 . . . . 1.47 110.542 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.625 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 26.2 pt -65.44 -50.64 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.307 0.484 . . . . 0.26 112.307 -170.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 114' ' ' ILE . 18.4 t -70.61 -13.8 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.064 -0.398 . . . . 1.5 111.475 -176.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 9.4 mm-40 -73.49 -5.94 43.28 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.505 0.669 . . . . 0.8 109.464 174.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.437 HG22 ' CD1' ' A' ' 119' ' ' LEU . 41.9 mt -116.02 102.18 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 114.309 -1.314 . . . . 0.26 109.456 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.99 112.95 24.93 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.372 -0.603 . . . . 1.01 109.372 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 117' ' ' ILE . 6.8 mp -97.38 127.85 43.69 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.132 -0.322 . . . . 0.73 110.132 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 5.0 mp -124.33 134.68 53.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.98 -0.378 . . . . 0.23 109.98 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.68 101.49 9.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.8 -0.815 . . . . 1.36 108.8 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.4 tttp 61.4 36.01 17.55 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.719 0.771 . . . . 2.47 109.653 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.43 -11.79 71.13 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.585 -0.734 . . . . 0.47 112.799 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 4.9 tppp? -74.44 119.63 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 1.94 110.85 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -70.86 112.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 0.3 110.616 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.541 HD22 HD22 ' A' ' 135' ' ' LEU . 46.2 mt -88.88 132.35 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.417 -0.586 . . . . 0.31 109.417 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -77.15 162.15 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.149 -0.221 . . . . 1.67 111.251 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -51.25 -44.78 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.35 0.406 . . . . 0.45 111.821 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -114.81 28.87 8.42 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.176 0.806 . . . . 1.91 113.176 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 133.24 46.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.622 0.249 . . . . 0.39 110.373 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 57.1 m-85 -76.84 140.91 40.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.47 110.586 177.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.25 -15.21 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.28 111.207 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 t -69.62 -31.25 69.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.186 0.517 . . . . 1.25 109.794 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -82.6 -17.95 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.758 -0.655 . . . . 1.93 109.9 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.541 HD22 HD22 ' A' ' 126' ' ' LEU . 47.5 mt -92.66 -56.49 2.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.84 -176.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.5 mttp 55.01 76.14 0.27 Allowed 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.734 0.646 . . . . 2.87 110.541 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.47 100.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.303 0.573 . . . . 0.48 110.069 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 33.9 p -68.97 139.11 90.35 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.035 -0.984 . . . . 0.88 110.447 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -53.8 -27.9 45.43 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.179 2.586 . . . . 0.93 113.141 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.14 -22.67 59.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 0.89 111.146 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -125.54 45.21 2.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.254 -0.647 . . . . 1.1 109.254 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p -86.66 -8.66 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.387 -0.824 . . . . 1.23 111.437 -174.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.8 m -80.89 99.04 8.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.196 0.522 . . . . 0.48 109.852 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.0 mm -89.13 131.29 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.452 -0.794 . . . . 0.27 109.603 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.0 m -85.93 104.62 15.74 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.877 -0.786 . . . . 0.21 108.877 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.473 HG22 HG13 ' A' ' 148' ' ' ILE . 8.8 p -105.23 107.74 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 122.45 1.119 . . . . 0.2 110.843 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 57.5 mtt -88.16 102.82 15.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.851 -1.068 . . . . 1.62 109.575 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 116' ' ' GLU . 68.5 mt -121.23 135.22 62.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.382 -0.372 . . . . 0.19 111.142 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.3 mmtp -132.63 97.19 17.65 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 1.18 109.802 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 N--CA 1.464 -0.22 0 C-N-CA 122.539 2.159 . . . . 0.78 111.767 179.821 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.05 0.453 . . . . 0.54 110.107 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' A' ' 143' ' ' THR . 45.4 m -83.31 93.57 7.75 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.268 -0.642 . . . . 0.26 109.268 175.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.453 HD22 HD21 ' A' ' 119' ' ' LEU . 17.8 mt -79.5 96.83 6.21 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.874 -0.787 . . . . 0.72 108.874 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' C ' HG12 ' A' ' 146' ' ' VAL . 83.6 tttt -95.88 113.54 25.17 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.377 -0.828 . . . . 1.39 110.522 -173.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 88.6 tttt -97.38 111.32 23.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.897 -0.592 . . . . 0.4 110.591 -175.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 38.0 pt -113.26 18.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.875 -0.602 . . . . 0.64 111.442 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 15.0 mm-40 -98.36 -90.85 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.88 0.326 . . . . 1.22 111.88 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.56 139.09 3.05 Favored Pre-proline 0 N--CA 1.465 0.298 0 C-N-CA 121.482 -0.087 . . . . 0.6 111.146 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.39 15.11 12.42 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 124.031 -1.237 . . . . 0.77 112.612 -7.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 75.74 154.73 0.16 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.503 0.721 . . . . 1.96 112.566 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -175.21 -179.04 1.26 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.431 -0.804 . . . . 0.32 109.385 173.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -145.79 104.85 3.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.884 0.373 . . . . 1.32 110.198 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 19.6 pt -116.42 158.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.185 -0.461 . . . . 0.38 110.83 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -130.81 121.31 25.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.788 -0.449 . . . . 1.45 109.788 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -127.85 144.57 51.09 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.896 0.379 . . . . 2.42 110.939 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -100.58 123.8 45.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.977 -0.556 . . . . 1.83 110.791 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CD2' HG12 ' A' ' 101' ' ' ILE . 88.9 m-85 -132.94 153.57 51.28 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.695 -0.684 . . . . 0.97 109.348 177.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -70.92 141.73 87.19 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.562 -0.29 . . . . 0.81 110.228 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.8 -3.29 6.6 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.722 2.282 . . . . 0.73 113.426 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 p -113.6 8.19 17.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 0.89 110.677 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -82.8 172.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.683 -0.69 . . . . 1.37 109.8 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.552 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 43.9 p -104.29 148.9 25.83 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.99 0.424 . . . . 0.32 110.755 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.51 HD13 HD12 ' A' ' 101' ' ' ILE . 41.2 mm -59.65 -24.15 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.536 -0.756 . . . . 0.24 109.442 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.21 -39.31 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 0.71 110.062 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.552 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.4 mm-40 -65.93 -36.83 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.7 109.851 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.51 HD12 HD13 ' A' ' 98' ' ' ILE . 45.1 mt -64.25 -48.83 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.515 -0.766 . . . . 0.21 110.4 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.651 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 89.2 mttt -65.59 -43.49 89.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.706 -0.679 . . . . 0.94 110.893 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -59.08 -27.22 65.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.83 110.562 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 59.8 t-80 -79.45 -38.16 35.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.56 -0.746 . . . . 1.21 109.693 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.414 HD12 HG21 ' A' ' 117' ' ' ILE . 54.1 mt -68.49 -30.32 69.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.66 -0.496 . . . . 0.18 109.66 177.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 102' ' ' LYS . 74.4 mt -66.45 -45.34 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.17 110.088 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -73.88 -12.47 60.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.767 -0.651 . . . . 0.61 111.505 -173.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 15.7 pt-20 -112.13 22.02 15.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.742 0.306 . . . . 0.42 111.053 175.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 57.31 39.16 28.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.762 -0.654 . . . . 1.86 112.721 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 74.0 mmtt -101.02 -18.78 16.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.201 -0.454 . . . . 1.22 110.2 175.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 117' ' ' ILE . . . -152.82 176.33 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.218 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t -96.57 -50.84 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 1.23 111.259 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -137.94 168.64 19.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.34 -0.144 . . . . 1.47 111.089 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 18.8 pt -60.83 -48.24 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 111.879 0.326 . . . . 0.26 111.879 -175.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.1 t -72.91 -11.63 60.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.72 0.295 . . . . 1.5 111.59 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 46.8 mm-40 -78.84 -4.03 47.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.848 0.832 . . . . 0.8 109.334 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.414 HG21 HD12 ' A' ' 105' ' ' LEU . 53.7 mt -116.12 128.69 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 113.58 -1.646 . . . . 0.26 108.537 174.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.573 ' HD3' HG13 ' A' ' 125' ' ' VAL . 2.3 tmmm? -137.05 115.26 11.67 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.822 -0.751 . . . . 1.01 110.538 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 144' ' ' ILE . 56.4 mt -91.73 146.57 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.437 -0.801 . . . . 0.73 109.961 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 145' ' ' THR . 4.2 mp -129.26 136.19 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.977 -0.379 . . . . 0.23 109.977 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 tt -115.55 108.59 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.615 -0.883 . . . . 1.36 108.615 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' LYS . 61.1 tttp 64.56 28.8 13.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.793 0.806 . . . . 2.47 109.824 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.08 -12.47 67.62 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.621 -0.718 . . . . 0.47 112.412 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -73.31 120.72 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.733 0.301 . . . . 1.94 110.541 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.573 HG13 ' HD3' ' A' ' 118' ' ' LYS . 51.1 t -63.29 120.96 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.608 -0.724 . . . . 0.3 111.15 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 119' ' ' LEU . 29.0 mt -99.14 120.44 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.79 -0.641 . . . . 0.31 109.788 177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -72.75 170.53 14.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.211 -0.449 . . . . 1.67 111.307 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.14 -47.65 74.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.223 -0.444 . . . . 0.45 112.04 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -109.56 29.52 7.49 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.45 0.907 . . . . 1.91 113.45 -172.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -69.74 139.42 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.155 -0.341 . . . . 0.39 110.292 177.274 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 51.3 m-85 -88.57 141.75 28.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.294 . . . . 0.47 110.839 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.7 -16.92 62.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.274 -0.421 . . . . 0.28 111.056 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 p -70.07 -26.25 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.105 0.478 . . . . 1.25 110.644 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -83.82 -36.85 23.19 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.235 -0.654 . . . . 1.93 109.235 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 29.9 mt -70.73 -50.83 32.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.033 -0.985 . . . . 0.42 111.022 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt 59.82 75.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.629 -0.714 . . . . 2.87 110.22 -174.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 t -75.23 101.99 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.48 109.34 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.9 p -83.54 155.15 65.86 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.113 -0.494 . . . . 0.88 111.168 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.79 -44.88 21.44 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.014 2.476 . . . . 0.93 113.57 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.57 58.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.505 -0.316 . . . . 0.89 111.782 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -109.33 38.49 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.0 0.429 . . . . 1.1 110.45 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.6 p -85.1 -11.19 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.039 -0.528 . . . . 1.23 111.492 -176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 77' ' ' THR . 33.7 m -80.97 102.08 9.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.402 0.62 . . . . 0.48 110.055 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.461 ' CG2' HD22 ' A' ' 119' ' ' LEU . 17.5 mm -99.74 143.01 14.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.447 -0.797 . . . . 0.27 109.804 -176.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 7.9 m -86.34 107.72 18.12 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.072 -0.344 . . . . 0.21 110.072 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 148' ' ' ILE . 8.3 p -103.83 118.33 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 122.18 0.99 . . . . 0.2 110.772 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 58.8 mtt -105.39 107.55 18.59 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.849 -1.069 . . . . 1.62 109.815 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.498 HG13 HG22 ' A' ' 146' ' ' VAL . 68.0 mt -129.04 141.84 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.19 110.567 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -132.67 95.84 19.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 123.272 0.358 . . . . 1.18 110.15 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--N 1.344 0.29 0 C-N-CA 123.313 2.675 . . . . 0.78 112.372 -178.516 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 121.05 0.452 . . . . 0.54 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -99.59 96.17 7.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.338 -0.615 . . . . 0.26 109.338 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.9 mt -82.74 99.61 9.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.97 -0.559 . . . . 0.72 110.054 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HD3' HG23 ' A' ' 81' ' ' ILE . 6.1 tmmm? -91.6 121.7 33.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 1.39 110.419 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.481 ' HB2' HG13 ' A' ' 146' ' ' VAL . 85.4 tttt -116.15 118.39 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.4 111.476 -174.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.431 HG23 ' HD3' ' A' ' 79' ' ' LYS . 7.9 pt -126.39 43.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.348 0.594 . . . . 0.64 111.267 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 85' ' ' LYS . 29.0 mm-40 -114.69 -85.92 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 1.22 111.285 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.68 133.61 3.19 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 110.561 -0.163 . . . . 0.6 110.561 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -82.84 13.31 33.51 Favored 'Cis proline' 0 C--N 1.346 0.396 0 C-N-CA 123.976 -1.26 . . . . 0.77 112.046 -3.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 82' ' ' GLN . 9.7 mtmp? 74.44 143.63 0.07 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.409 -0.814 . . . . 1.96 112.09 175.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.464 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 2.6 p90 -178.83 -177.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.559 -0.746 . . . . 0.32 109.373 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -144.92 126.73 15.31 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 1.32 109.707 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 pt -128.22 139.85 50.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.28 -0.418 . . . . 0.38 111.359 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -105.48 117.36 33.82 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.843 -0.428 . . . . 1.45 109.843 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -132.56 146.46 51.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.856 0.36 . . . . 2.42 110.744 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -115.2 141.95 47.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.596 -0.52 . . . . 1.83 109.596 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -139.64 149.04 43.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.877 -0.601 . . . . 0.97 109.623 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -71.93 146.12 89.95 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.161 -0.472 . . . . 0.81 110.815 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.97 -43.63 46.56 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.495 2.13 . . . . 0.73 113.576 -173.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.2 m -87.5 9.75 19.94 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.886 -0.509 . . . . 0.89 111.927 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.17 153.99 24.5 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.989 -1.115 . . . . 1.37 107.989 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.528 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.1 p -100.72 156.48 17.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.262 0.553 . . . . 0.32 111.732 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.531 HD13 HD12 ' A' ' 101' ' ' ILE . 38.7 mm -56.59 -27.88 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.3 -0.864 . . . . 0.24 110.015 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.44 -37.57 87.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.979 -0.555 . . . . 0.71 109.741 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.528 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.8 mm-40 -66.34 -38.46 87.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.7 109.98 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.531 HD12 HD13 ' A' ' 98' ' ' ILE . 43.1 mt -64.08 -45.28 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.828 -0.624 . . . . 0.21 110.134 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.554 ' HG3' HD12 ' A' ' 117' ' ' ILE . 2.4 mptm? -61.16 -53.54 55.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.368 -0.833 . . . . 0.94 111.337 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.54 -20.47 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.203 0.525 . . . . 0.83 110.474 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.657 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 5.9 t60 -77.26 -40.28 45.22 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.688 -0.856 . . . . 1.21 108.688 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 53.5 mt -73.25 -38.08 66.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.18 110.434 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 102' ' ' LYS . 80.7 mt -57.87 -47.47 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 0.17 110.28 173.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.0 p -72.67 -23.6 60.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 0.61 111.956 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -99.9 20.51 14.16 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.011 0.434 . . . . 0.42 111.096 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 55.92 46.39 22.15 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.45 -0.795 . . . . 1.86 111.909 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 39.9 mmtm -110.26 -7.4 14.85 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.832 -0.622 . . . . 1.22 110.338 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.63 -174.75 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.29 111.783 -174.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.6 t -108.91 -66.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.814 -0.63 . . . . 1.23 110.56 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -126.32 169.68 12.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.631 -0.259 . . . . 1.47 110.608 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 102' ' ' LYS . 36.2 pt -61.6 -41.33 89.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.255 0.55 . . . . 0.26 111.052 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 114' ' ' ILE . 11.6 p -76.56 -17.01 59.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.417 0.525 . . . . 1.5 112.417 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -82.2 7.09 14.57 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.598 0.713 . . . . 0.8 110.098 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.554 HD12 ' HG3' ' A' ' 102' ' ' LYS . 69.4 mt -119.18 110.29 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 114.308 -1.314 . . . . 0.26 108.797 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.519 ' HA ' ' HE3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -98.63 113.14 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.235 -0.654 . . . . 1.01 109.235 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 144' ' ' ILE . 17.5 mt -101.27 126.81 48.04 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.847 -0.427 . . . . 0.73 109.847 175.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 mp -129.82 138.0 50.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 0.23 110.082 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.6 tp -114.7 100.71 8.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 1.36 110.018 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 56.02 41.64 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.486 -0.779 . . . . 2.47 110.854 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.0 -14.32 64.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.95 -0.643 . . . . 0.47 112.739 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -83.92 115.98 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.681 -0.305 . . . . 1.94 110.541 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.91 110.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.016 -0.538 . . . . 0.3 110.464 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.592 HD22 HD22 ' A' ' 135' ' ' LEU . 46.7 mt -83.98 135.76 34.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.321 -0.622 . . . . 0.31 109.321 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -84.25 161.63 20.43 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.918 -0.313 . . . . 1.67 110.994 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -47.47 -47.04 27.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.772 0.67 . . . . 0.45 112.427 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -116.11 28.69 8.44 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.571 0.952 . . . . 1.91 113.571 -174.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.21 141.2 58.14 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.205 -0.309 . . . . 0.39 110.541 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.528 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.0 m-85 -81.29 142.28 33.26 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.673 0.273 . . . . 0.47 110.794 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.21 -15.76 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 0.28 111.765 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.6 -22.92 62.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.058 0.456 . . . . 1.25 110.436 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -91.17 -22.8 20.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.791 -0.64 . . . . 1.93 109.822 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.592 HD22 HD22 ' A' ' 126' ' ' LEU . 34.1 mt -83.4 -53.79 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.372 -0.831 . . . . 0.42 110.486 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 58.75 70.08 0.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.544 -0.753 . . . . 2.87 111.06 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.1 t -80.45 102.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.48 110.223 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.5 p -84.3 160.28 57.41 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.626 -0.715 . . . . 0.88 111.175 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -46.27 -48.15 13.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.274 2.65 . . . . 0.93 113.953 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.23 -17.62 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 0.89 111.692 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.54 27.68 9.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 1.1 110.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.406 ' O ' HG12 ' A' ' 144' ' ' ILE . 29.5 t -73.12 -16.98 61.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.749 -0.66 . . . . 1.23 111.362 -175.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.7 m -69.3 103.21 1.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.345 0.593 . . . . 0.48 111.233 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 119' ' ' LEU . 29.9 mm -106.49 141.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.561 -0.745 . . . . 0.27 109.541 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.1 m -96.15 117.66 31.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.409 -0.589 . . . . 0.21 109.409 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.565 HG22 HG13 ' A' ' 148' ' ' ILE . 11.6 p -116.53 111.69 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.116 0.96 . . . . 0.2 110.943 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 78.3 mtp -97.92 102.15 13.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.214 -0.903 . . . . 1.62 109.3 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.565 HG13 HG22 ' A' ' 146' ' ' VAL . 52.4 mt -120.46 137.86 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 121.044 -0.263 . . . . 0.19 111.051 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.522 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 10.6 mmmm -127.32 107.23 21.39 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.753 -0.832 . . . . 1.18 108.753 172.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo . . . . . 0 C--O 1.234 0.278 0 C-N-CA 122.868 2.379 . . . . 0.78 112.733 -176.744 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.24 -0.282 . . . . 0.54 110.24 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 m -98.72 92.51 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.069 0.462 . . . . 0.26 110.321 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.487 HD23 HD21 ' A' ' 119' ' ' LEU . 6.8 mp -79.47 107.97 12.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.646 -0.706 . . . . 0.72 110.507 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -102.04 120.6 40.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.208 -0.451 . . . . 1.39 110.524 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.0 tttt -102.41 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 0.4 111.163 -173.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 pt -112.31 40.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 0.64 111.536 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -115.84 -90.81 0.54 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.22 111.39 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -165.19 136.09 3.11 Favored Pre-proline 0 C--N 1.332 -0.177 0 N-CA-C 110.469 -0.197 . . . . 0.6 110.469 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.87 13.71 23.49 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.536 -1.443 . . . . 0.77 112.317 -2.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 73.52 145.68 0.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.282 -0.872 . . . . 1.96 111.504 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.452 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -174.41 -177.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.32 109.843 177.16 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.6 m -142.48 123.5 14.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.909 -0.404 . . . . 1.32 109.909 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.445 HG13 ' HB2' ' A' ' 78' ' ' LEU . 20.6 pt -131.36 145.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.903 0.382 . . . . 0.38 110.852 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.05 118.67 34.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.242 -0.435 . . . . 1.45 109.829 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -129.71 127.02 39.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.319 -0.4 . . . . 2.42 110.627 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.43 146.13 28.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.362 -0.381 . . . . 1.83 110.16 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.494 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.6 m-85 -147.2 172.84 13.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.854 -0.612 . . . . 0.97 110.269 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.3 m -81.36 141.25 49.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.083 -0.508 . . . . 0.81 109.978 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.25 -16.46 51.18 Favored 'Trans proline' 0 C--O 1.219 -0.428 0 C-N-CA 123.077 2.518 . . . . 0.73 113.687 -175.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -103.89 9.96 36.56 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.653 -0.419 . . . . 0.89 111.337 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' A' ' 100' ' ' GLN . 13.5 t0 -86.62 167.91 14.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.357 -0.609 . . . . 1.37 109.357 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.458 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.9 p -105.75 153.51 21.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.302 0.573 . . . . 0.32 111.689 -176.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.437 HD13 HD12 ' A' ' 101' ' ' ILE . 45.4 mm -59.02 -26.73 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.201 -0.909 . . . . 0.24 110.375 174.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.81 -38.5 82.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.71 109.814 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.512 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 28.2 mm-40 -65.44 -40.47 93.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.863 0.363 . . . . 0.7 110.097 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.494 HG12 ' CE2' ' A' ' 92' ' ' PHE . 48.3 mt -64.46 -47.09 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.21 110.381 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 114' ' ' ILE . 92.0 mttt -65.47 -45.9 81.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.607 -0.724 . . . . 0.94 111.454 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -59.5 -27.85 66.51 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.287 0.565 . . . . 0.83 110.289 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 48.3 t-80 -76.14 -42.3 47.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.376 -0.829 . . . . 1.21 109.218 -175.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 117' ' ' ILE . 42.0 mt -63.44 -35.92 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.969 -0.56 . . . . 0.18 110.019 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.497 HD11 ' N ' ' A' ' 114' ' ' ILE . 76.0 mt -63.16 -46.77 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.17 110.3 172.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.8 p -68.54 -16.28 63.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.921 -0.581 . . . . 0.61 111.585 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.9 pt-20 -108.57 19.65 19.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.97 0.415 . . . . 0.42 110.693 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 58.3 35.51 24.94 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.523 -0.762 . . . . 1.86 112.903 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.496 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 75.8 mmtt -101.13 -10.13 20.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.347 -0.388 . . . . 1.22 110.62 177.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.31 173.02 17.48 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.849 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.5 t -92.74 -64.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 1.23 110.576 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -129.18 168.08 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.945 -0.391 . . . . 1.47 109.945 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.497 ' N ' HD11 ' A' ' 106' ' ' ILE . 30.3 pt -57.76 -42.39 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.436 . . . . 0.26 111.142 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 p -77.88 -9.52 59.1 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.648 0.61 . . . . 1.5 112.648 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -83.03 -2.76 56.15 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.964 0.888 . . . . 0.8 109.087 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.441 HD13 HD12 ' A' ' 105' ' ' LEU . 64.8 mt -106.86 111.36 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 113.825 -1.534 . . . . 0.26 109.159 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 147' ' ' MET . 0.2 OUTLIER -98.01 112.11 24.17 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.32 -0.993 . . . . 1.01 108.32 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.487 HD21 HD23 ' A' ' 78' ' ' LEU . 14.6 mt -104.95 129.62 53.31 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.751 0.31 . . . . 0.73 110.224 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.34 138.7 49.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.971 -0.559 . . . . 0.23 109.845 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.0 tt -113.19 100.33 8.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.495 -0.928 . . . . 1.36 108.495 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 52.3 40.8 29.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.312 -0.858 . . . . 2.47 110.588 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.51 -21.57 43.53 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.653 -0.703 . . . . 0.47 113.053 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -74.71 117.07 16.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.862 0.363 . . . . 1.94 110.969 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.05 119.55 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.723 -0.671 . . . . 0.3 110.947 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.555 HD22 HD22 ' A' ' 135' ' ' LEU . 37.2 mt -96.38 121.43 38.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.434 -0.58 . . . . 0.31 109.434 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -74.58 -177.97 3.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 1.67 111.332 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -60.47 -53.38 58.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.45 112.217 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -115.25 29.28 8.13 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.927 0.714 . . . . 1.91 112.927 -173.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -65.77 132.55 49.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.62 0.248 . . . . 0.39 110.549 178.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.455 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 65.1 m-85 -77.29 142.06 39.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.796 0.331 . . . . 0.47 110.861 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.52 -15.74 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 0.28 111.193 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -70.86 -27.26 63.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.151 0.501 . . . . 1.25 110.293 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.22 -31.15 25.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.333 -0.617 . . . . 1.93 109.333 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.555 HD22 HD22 ' A' ' 126' ' ' LEU . 25.5 mt -75.26 -53.76 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.927 -1.033 . . . . 0.42 110.897 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 60.9 75.18 0.42 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.88 -0.6 . . . . 2.87 110.758 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.89 101.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 0.48 109.505 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 72.1 p -76.35 153.06 83.98 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.15 -0.477 . . . . 0.88 110.451 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.2 -7.77 7.19 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.49 2.794 . . . . 0.93 113.213 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -99.85 -35.06 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.948 0.404 . . . . 0.89 110.575 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -104.07 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 1.1 110.346 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.6 m -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 1.23 110.944 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.5 m -75.22 105.14 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 0.48 110.446 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.432 HG21 HD22 ' A' ' 119' ' ' LEU . 35.0 mm -103.28 131.47 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.75 -0.659 . . . . 0.27 110.093 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.3 m -89.09 115.64 26.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.445 -0.576 . . . . 0.21 109.445 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.622 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 11.8 p -115.22 114.21 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-O 122.2 1.0 . . . . 0.2 110.727 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.475 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 63.4 mtt -102.24 101.13 11.39 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.283 -0.871 . . . . 1.62 109.256 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.62 HG13 HG22 ' A' ' 146' ' ' VAL . 75.4 mt -115.02 134.75 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.554 . . . . 0.19 110.434 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -126.38 97.28 34.46 Favored Pre-proline 0 C--N 1.316 -0.859 0 N-CA-C 109.349 -0.611 . . . . 1.18 109.349 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 C--N 1.344 0.298 0 C-N-CA 122.951 2.434 . . . . 0.78 112.211 -178.225 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.002 0.429 . . . . 3.72 110.407 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.432 HG12 HD11 ' A' ' 76' ' ' LEU . 19.5 t -77.28 88.15 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.513 0.673 . . . . 1.18 109.956 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.449 ' C ' HD12 ' A' ' 76' ' ' LEU . 82.5 t60 -104.6 124.67 49.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.228 -0.896 . . . . 3.06 110.467 -174.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 90' ' ' HIS . 7.2 mp -126.81 114.9 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.54 111.242 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 m -98.94 107.45 19.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.546 -0.539 . . . . 0.26 109.546 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.448 ' HB2' HG13 ' A' ' 88' ' ' ILE . 17.2 mt -87.78 105.02 17.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.019 -0.363 . . . . 0.72 110.019 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -100.17 117.28 34.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.997 0.427 . . . . 1.39 110.635 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 83.3 tttt -101.03 109.3 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.4 110.998 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.8 pt -112.61 30.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.037 -0.529 . . . . 0.64 111.402 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -104.15 -89.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.366 -0.379 . . . . 1.22 111.774 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . . . -164.05 136.66 3.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 110.392 -0.225 . . . . 0.6 110.392 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.24 16.6 18.68 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.926 -1.281 . . . . 0.77 111.916 -2.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 72.56 143.51 0.06 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.256 -0.883 . . . . 1.96 112.311 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.489 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 1.6 p90 -175.08 -177.52 1.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.354 -0.839 . . . . 0.32 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 p -138.17 120.1 15.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.823 0.345 . . . . 1.32 110.072 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.448 HG13 ' HB2' ' A' ' 78' ' ' LEU . 27.8 pt -127.52 175.92 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.38 110.249 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -149.79 146.26 27.07 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.264 -0.426 . . . . 1.45 109.87 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 76' ' ' LEU . 11.1 p80 -144.46 152.64 40.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 2.42 110.597 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.24 122.09 30.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 1.83 109.945 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -137.65 161.44 36.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.424 -0.353 . . . . 0.97 110.145 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -84.95 148.41 50.75 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.852 -0.613 . . . . 0.81 109.764 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -51.71 -28.86 31.31 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.994 3.129 . . . . 0.73 114.867 -168.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.5 m -81.06 -2.06 46.65 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.815 -0.553 . . . . 0.89 112.288 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.37 163.43 27.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.953 -0.758 . . . . 1.37 108.953 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.614 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 74.5 p -118.3 155.86 29.88 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 0.32 111.427 -176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.509 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 30.6 mm -53.17 -34.36 21.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.516 -0.765 . . . . 0.24 110.571 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.71 110.867 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.614 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 75.7 mm-40 -69.28 -38.76 78.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.026 0.441 . . . . 0.7 109.844 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 98' ' ' ILE . 44.9 mt -63.08 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 0.21 109.713 174.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HG3' HD12 ' A' ' 117' ' ' ILE . 2.4 mptm? -62.96 -51.64 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 0.94 111.432 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -54.07 -27.05 30.09 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.83 110.268 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.664 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 61.1 t-80 -76.29 -44.51 36.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.324 -0.853 . . . . 1.21 109.298 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.432 HD12 HG21 ' A' ' 117' ' ' ILE . 65.1 mt -66.28 -31.48 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 0.18 110.09 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 114' ' ' ILE . 74.2 mt -65.8 -48.71 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.17 110.403 172.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.6 p -68.72 -23.7 64.38 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.869 -0.605 . . . . 0.61 111.468 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 14.5 pt-20 -99.26 13.28 33.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.102 0.477 . . . . 0.42 111.048 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.84 44.6 28.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.28 -0.873 . . . . 1.86 112.311 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.475 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 30.5 mmtp -104.94 -1.29 26.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.567 -0.742 . . . . 1.22 109.15 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -162.28 -179.89 7.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.868 -1.06 . . . . 0.29 110.778 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.2 m -103.16 -60.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.521 . . . . 1.23 110.916 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -130.72 169.44 15.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.622 -0.263 . . . . 1.47 110.963 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.477 ' N ' HD11 ' A' ' 106' ' ' ILE . 38.9 pt -59.67 -42.83 89.79 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 121.265 0.555 . . . . 0.26 111.092 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 114' ' ' ILE . 5.1 p -74.35 -23.93 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.739 0.644 . . . . 1.5 112.739 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -74.34 -0.65 17.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.494 0.664 . . . . 0.8 110.296 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.542 HD12 ' HG3' ' A' ' 102' ' ' LYS . 56.6 mt -111.84 116.93 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.527 -1.215 . . . . 0.26 109.323 176.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -103.72 113.59 27.21 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.536 -0.542 . . . . 1.01 109.536 176.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.435 HD22 HG21 ' A' ' 144' ' ' ILE . 17.6 mt -100.66 123.82 45.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.538 -0.542 . . . . 0.73 109.538 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -122.15 134.17 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.23 110.304 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.4 HD22 HG22 ' A' ' 137' ' ' VAL . 52.3 tp -114.98 110.76 20.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.902 -0.59 . . . . 1.36 109.606 176.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.9 tptt 62.59 31.69 16.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 2.47 110.277 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.81 -5.04 85.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.973 -0.632 . . . . 0.47 112.649 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -83.71 125.27 31.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.728 0.299 . . . . 1.94 110.348 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.86 112.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.856 -0.611 . . . . 0.3 110.657 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 135' ' ' LEU . 27.6 mt -86.31 139.96 30.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.222 -0.659 . . . . 0.31 109.222 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -84.45 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.985 -0.286 . . . . 1.67 110.944 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -46.72 -47.47 20.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.773 0.671 . . . . 0.45 112.477 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -115.12 29.67 7.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.434 0.902 . . . . 1.91 113.434 -174.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 129.5 39.95 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.097 -0.377 . . . . 0.39 110.687 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 29.3 m-85 -74.5 142.81 44.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.808 0.337 . . . . 0.47 111.001 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.71 -15.36 61.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 0.28 111.628 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.9 m -76.42 -20.54 56.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 1.25 110.382 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.013 -0.736 . . . . 1.93 109.013 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 126' ' ' LEU . 59.8 mt -71.16 -52.81 17.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.102 -0.954 . . . . 0.42 110.341 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 58.33 58.55 3.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.897 -0.592 . . . . 2.87 110.417 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.4 HG22 HD22 ' A' ' 121' ' ' LEU . 4.8 t -71.32 102.97 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 0.48 110.159 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.5 p -76.52 145.26 75.24 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.451 -0.795 . . . . 0.88 110.395 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -50.37 -25.81 14.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.57 2.847 . . . . 0.93 113.272 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.56 -19.7 57.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.368 -0.378 . . . . 0.89 111.342 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -125.8 39.46 3.95 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.546 -0.539 . . . . 1.1 109.546 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.8 p -78.85 -8.27 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.73 -0.668 . . . . 1.23 112.532 -171.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 36.9 m -76.2 111.26 11.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.48 110.922 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.435 HG21 HD22 ' A' ' 119' ' ' LEU . 29.3 mm -107.54 136.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.783 -0.644 . . . . 0.27 110.075 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 9.4 m -92.42 111.83 23.55 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.233 -0.654 . . . . 0.21 109.233 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.585 HG22 HG13 ' A' ' 148' ' ' ILE . 14.0 p -107.32 113.01 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.151 0.977 . . . . 0.2 110.649 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 62.5 mtt -102.32 101.29 11.54 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.225 -0.898 . . . . 1.62 109.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.585 HG13 HG22 ' A' ' 146' ' ' VAL . 63.0 mt -118.15 137.31 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 CA-C-N 116.209 -0.451 . . . . 0.19 110.616 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.3 mmmm -126.62 100.45 28.5 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.365 -0.605 . . . . 1.18 109.365 173.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.49 163.3 30.36 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.905 2.403 . . . . 0.78 112.16 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -70.84 88.55 0.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.798 0.809 . . . . 3.2 110.68 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.05 78.8 8.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.571 -0.74 . . . . 5.57 109.622 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -10.94 26.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.373 -0.831 . . . . 5.3 111.548 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 61.6 38.3 15.55 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.41 -0.814 . . . . 7.87 112.596 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -85.74 -54.91 4.24 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.655 -0.418 . . . . 8.16 110.475 177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -77.95 -26.06 48.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.123 0.487 . . . . 9.6 110.06 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -76.31 -25.85 55.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.771 -0.649 . . . . 11.32 111.234 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -99.63 119.7 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.998 0.428 . . . . 13.83 110.121 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.316 -0.849 . . . . 15.61 109.545 178.774 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.668 0.27 . . . . 3.72 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.23 147.29 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.931 -0.396 . . . . 1.18 109.931 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -108.86 127.43 54.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.565 0.221 . . . . 3.06 110.796 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -113.19 116.65 30.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.252 -0.431 . . . . 0.54 110.367 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.5 m -94.54 96.61 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.137 0.494 . . . . 0.26 109.793 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -83.03 100.92 10.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.638 -0.71 . . . . 0.72 110.076 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -90.88 116.82 29.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.006 0.431 . . . . 1.39 110.134 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 86.8 tttt -99.13 110.73 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.849 -0.614 . . . . 0.4 110.502 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.8 pt -112.62 28.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 0.64 111.757 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -106.09 -91.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 1.22 111.396 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.53 138.16 2.88 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 110.366 -0.235 . . . . 0.6 110.366 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -80.53 12.8 24.14 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.697 -1.376 . . . . 0.77 112.192 -1.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm 72.1 148.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.243 -0.89 . . . . 1.96 112.665 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -178.9 -177.24 0.48 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.16 -0.927 . . . . 0.32 109.586 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -140.99 119.09 11.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.77 0.319 . . . . 1.32 110.192 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.36 150.21 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.356 -0.384 . . . . 0.38 111.166 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -120.41 117.3 27.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.174 -0.467 . . . . 1.45 109.849 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -133.44 132.68 41.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.155 -0.475 . . . . 2.42 109.963 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.89 142.29 38.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.349 0.595 . . . . 1.83 110.919 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CE1' HG12 ' A' ' 101' ' ' ILE . 45.3 m-85 -140.49 173.01 11.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.108 -0.951 . . . . 0.97 108.939 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.1 m -104.61 150.68 38.83 Favored Pre-proline 0 C--N 1.315 -0.914 0 O-C-N 122.116 -0.365 . . . . 0.81 110.123 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.18 -38.77 33.6 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.753 2.302 . . . . 0.73 113.806 -172.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -80.1 -2.2 43.43 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.854 -0.529 . . . . 0.89 112.25 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -76.45 161.48 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.116 -0.698 . . . . 1.37 109.116 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 p -108.17 156.21 19.57 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.839 0.352 . . . . 0.32 110.698 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.585 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 36.0 mm -57.57 -29.24 33.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 0.24 110.216 173.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.28 -32.08 71.91 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.386 -0.37 . . . . 0.71 110.629 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -64.41 -42.19 96.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.7 109.296 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.634 HG12 ' CE1' ' A' ' 92' ' ' PHE . 48.7 mt -66.76 -44.16 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.136 -0.938 . . . . 0.21 110.1 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 31.1 mmtp -58.07 -57.7 11.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.22 -0.9 . . . . 0.94 110.967 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' A' ' 106' ' ' ILE . 64.8 mm-40 -60.57 -24.06 65.14 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.83 111.054 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.703 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 50.3 t-80 -72.89 -46.79 50.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.95 -0.759 . . . . 1.21 108.95 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 117' ' ' ILE . 65.4 mt -64.51 -36.27 83.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.18 110.283 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.496 HD11 ' N ' ' A' ' 114' ' ' ILE . 79.4 mt -60.02 -48.01 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.968 0.413 . . . . 0.17 110.523 173.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.4 p -68.18 -23.46 64.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 0.61 111.656 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.703 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.5 pt-20 -101.66 18.75 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 0.42 111.197 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.82 28.86 17.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.729 -0.669 . . . . 1.86 112.63 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.548 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.0 mmtm -88.99 -23.45 22.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.333 -0.394 . . . . 1.22 110.308 177.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.34 167.47 27.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 0.29 111.31 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.1 m -86.55 -55.47 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 1.23 111.395 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.505 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 68.0 m80 -133.52 169.12 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.707 -0.224 . . . . 1.47 110.777 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.496 ' N ' HD11 ' A' ' 106' ' ' ILE . 20.3 pt -58.67 -47.68 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 112.345 0.498 . . . . 0.26 112.345 -174.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 m -83.86 -5.63 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.971 0.36 . . . . 1.5 111.971 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 16.8 mm-40 -75.18 -6.89 52.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.968 0.89 . . . . 0.8 108.945 173.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.524 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 46.8 mt -105.52 112.64 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 113.466 -1.697 . . . . 0.26 108.742 173.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 147' ' ' MET . 0.4 OUTLIER -99.44 113.06 25.2 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.093 -0.706 . . . . 1.01 109.093 177.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 98' ' ' ILE . 29.4 mt -102.51 131.23 49.36 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.805 0.336 . . . . 0.73 110.311 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 mp -133.88 142.68 47.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.986 -0.552 . . . . 0.23 109.878 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.9 tp -114.28 99.28 7.48 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.539 -0.541 . . . . 1.36 109.539 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 53.12 42.46 32.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.481 -0.781 . . . . 2.47 111.212 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.95 -21.91 42.64 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.499 -0.773 . . . . 0.47 112.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -75.87 116.67 16.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.822 0.344 . . . . 1.94 110.579 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.93 120.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.974 -0.557 . . . . 0.3 110.909 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.599 HD22 HD22 ' A' ' 135' ' ' LEU . 32.5 mt -96.77 129.64 44.16 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.89 -0.781 . . . . 0.31 108.89 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -79.97 166.95 21.09 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.038 -0.265 . . . . 1.67 111.261 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -57.27 -46.85 82.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.923 0.342 . . . . 0.45 111.923 -174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -115.92 29.99 7.63 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.131 0.491 . . . . 1.91 111.759 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 135.47 43.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.987 -0.446 . . . . 0.39 109.998 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 61.7 m-85 -73.02 144.24 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.47 110.701 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.66 -15.04 61.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.28 111.766 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.95 -32.04 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 1.25 110.778 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.99 -21.54 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.809 -0.632 . . . . 1.93 110.24 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.599 HD22 HD22 ' A' ' 126' ' ' LEU . 23.0 mt -89.79 -52.8 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.576 -0.738 . . . . 0.42 110.126 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 136' ' ' LYS . 4.4 ttmp? 60.36 77.32 0.33 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.236 -0.893 . . . . 2.87 111.272 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.64 102.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.48 109.635 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 31.8 p -75.86 145.21 77.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.074 -0.512 . . . . 0.88 110.016 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.94 -22.19 37.11 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.064 2.509 . . . . 0.93 113.057 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.02 31.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.89 110.837 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.12 41.13 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.236 -0.653 . . . . 1.1 109.236 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.3 p -81.93 6.18 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.467 -0.788 . . . . 1.23 112.461 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 17.6 m -78.68 109.81 13.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.102 0.477 . . . . 0.48 110.686 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.404 HG21 HD22 ' A' ' 119' ' ' LEU . 37.4 mm -111.21 142.4 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.872 -0.604 . . . . 0.27 110.111 -178.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 28.8 m -96.93 118.86 34.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.486 -0.561 . . . . 0.21 109.486 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 148' ' ' ILE . 14.6 p -118.93 115.43 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 122.06 0.933 . . . . 0.2 110.858 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.415 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 57.0 mtm -101.71 101.29 11.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.3 -0.863 . . . . 1.62 109.468 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 146' ' ' VAL . 53.4 mt -113.58 137.04 48.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.393 -0.367 . . . . 0.19 110.083 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 88.8 24.92 Favored Pre-proline 0 C--N 1.318 -0.793 0 N-CA-C 108.971 -0.751 . . . . 1.18 108.971 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.46 155.46 68.72 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.734 2.289 . . . . 0.78 112.767 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -105.88 73.78 1.02 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.969 -0.56 . . . . 3.2 110.134 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 50.3 tp -94.86 -48.39 6.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 5.57 109.766 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -83.25 142.07 31.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.616 -0.72 . . . . 5.3 109.777 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -100.03 121.37 41.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.984 0.421 . . . . 7.87 110.159 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -111.85 11.06 20.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.926 0.343 . . . . 8.16 111.926 -174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -95.2 12.4 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.193 0.521 . . . . 9.6 110.504 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -85.81 -18.1 33.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.422 -0.808 . . . . 11.32 109.293 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -135.8 122.05 20.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.448 -0.796 . . . . 13.83 109.418 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.776 -0.63 . . . . 15.61 110.429 -179.624 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 93.4 mmm . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.989 0.423 . . . . 3.72 110.472 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.8 t -101.03 96.77 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.751 -0.463 . . . . 1.18 109.751 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -103.52 128.78 50.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.25 -0.432 . . . . 3.06 110.752 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.57 117.37 32.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.309 -0.405 . . . . 0.54 110.645 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 48.9 m -89.79 93.94 9.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.749 -0.463 . . . . 0.26 109.749 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HB2' HG13 ' A' ' 88' ' ' ILE . 14.2 mt -81.98 97.35 8.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.976 -0.556 . . . . 0.72 109.554 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -91.78 116.37 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.39 110.598 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 87.4 tttt -98.65 111.1 23.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 0.4 110.769 -176.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.9 pt -114.24 20.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.891 -0.595 . . . . 0.64 111.988 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -101.54 -88.71 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.723 -0.391 . . . . 1.22 111.492 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.5 143.01 2.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 122.404 -0.185 . . . . 0.6 110.668 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -76.53 13.46 9.53 Favored 'Cis proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.953 -1.27 . . . . 0.77 113.232 -7.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.6 mttp 74.67 147.13 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.733 0.813 . . . . 1.96 112.446 173.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -173.73 178.01 2.35 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.73 -0.668 . . . . 0.32 109.941 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.8 p -136.38 119.52 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.706 0.289 . . . . 1.32 110.417 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.429 HG13 ' HB2' ' A' ' 78' ' ' LEU . 24.6 pt -132.81 143.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.38 110.829 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -119.69 121.44 39.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.366 -0.379 . . . . 1.45 109.996 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -132.82 131.29 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.038 -0.528 . . . . 2.42 110.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -105.23 142.61 34.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.833 0.349 . . . . 1.83 110.213 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.63 173.23 11.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.126 -0.488 . . . . 0.97 110.522 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.1 m -81.27 140.63 49.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.81 110.024 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -63.56 -7.92 13.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.366 2.711 . . . . 0.73 114.66 -173.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -114.23 10.42 17.24 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.807 -0.558 . . . . 0.89 111.378 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.51 171.32 13.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.691 -0.485 . . . . 1.37 109.691 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 p -109.08 147.99 31.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.024 0.44 . . . . 0.32 111.286 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.536 HD13 HD12 ' A' ' 101' ' ' ILE . 41.8 mm -55.85 -24.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.414 -0.812 . . . . 0.24 110.532 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.22 -39.48 79.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 0.71 110.452 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 51.6 mm-40 -71.46 -34.11 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.993 0.425 . . . . 0.7 110.121 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.536 HD12 HD13 ' A' ' 98' ' ' ILE . 38.1 mt -67.92 -45.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.21 110.041 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 81.8 mttt -64.28 -47.48 79.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.639 -0.71 . . . . 0.94 110.864 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -61.91 -23.69 66.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.015 0.436 . . . . 0.83 110.6 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.615 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 5.8 t60 -79.82 -35.91 37.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.716 -0.674 . . . . 1.21 109.457 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.417 HD12 HD13 ' A' ' 117' ' ' ILE . 54.7 mt -71.41 -31.93 67.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.632 -0.507 . . . . 0.18 109.632 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.537 HD11 ' N ' ' A' ' 114' ' ' ILE . 74.0 mt -63.5 -45.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.172 0.51 . . . . 0.17 110.144 171.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.7 p -71.06 -27.09 63.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.761 -0.654 . . . . 0.61 111.754 -173.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.6 pt-20 -95.81 18.01 14.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.897 0.379 . . . . 0.42 110.845 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 56.33 37.34 28.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.642 -0.708 . . . . 1.86 112.499 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.5 mmtp -99.96 -11.64 20.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.066 0.46 . . . . 1.22 109.934 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.94 167.71 26.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.419 -0.81 . . . . 0.29 110.671 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.4 m -92.05 -56.54 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 1.23 111.088 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -135.27 165.85 24.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.277 -0.638 . . . . 1.47 109.277 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.567 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 28.5 pt -57.57 -46.3 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.023 0.44 . . . . 0.26 111.354 -176.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' HG13 ' A' ' 114' ' ' ILE . 47.9 t -74.22 -5.98 45.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.678 0.621 . . . . 1.5 112.678 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.39 -6.66 59.53 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.596 -0.89 . . . . 0.8 108.596 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.417 HD13 HD12 ' A' ' 105' ' ' LEU . 62.0 mt -105.6 119.33 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 113.952 -1.476 . . . . 0.26 109.664 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -111.43 113.07 25.26 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.399 -0.593 . . . . 1.01 109.399 175.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.444 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 33.9 mt -100.75 130.32 46.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.982 -0.377 . . . . 0.73 109.982 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.22 131.35 48.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.928 -0.397 . . . . 0.23 109.928 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 144' ' ' ILE . 1.8 tm? -124.78 111.46 15.56 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.508 -0.552 . . . . 1.36 109.508 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp 60.93 40.85 15.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.641 -0.709 . . . . 2.47 110.714 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.0 4.12 88.54 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.844 -0.617 . . . . 0.47 112.849 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -93.86 122.12 36.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 1.94 110.921 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 72.8 t -70.12 109.14 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.752 -0.658 . . . . 0.3 110.564 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 135' ' ' LEU . 21.6 mt -84.88 132.12 34.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.345 -0.613 . . . . 0.31 109.345 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -85.96 170.26 12.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.172 -0.467 . . . . 1.67 111.395 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -51.22 -44.94 61.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.991 -0.55 . . . . 0.45 111.776 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -114.57 29.6 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.028 0.751 . . . . 1.91 113.028 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.465 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.38 129.27 39.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 0.39 110.447 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 60.1 m-85 -75.12 138.73 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.428 -0.351 . . . . 0.47 110.783 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.15 -15.49 63.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.316 -0.402 . . . . 0.28 110.975 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 p -68.2 -26.42 65.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.257 -0.429 . . . . 1.25 111.027 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.72 -18.42 26.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.391 0.615 . . . . 1.93 110.05 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 126' ' ' LEU . 37.1 mt -87.64 -53.89 4.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.302 -0.863 . . . . 0.42 110.306 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 54.98 67.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.921 0.763 . . . . 2.87 110.922 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.445 ' CG1' ' HA ' ' A' ' 142' ' ' SER . 42.3 t -73.83 101.47 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.52 -0.763 . . . . 0.48 109.896 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 139' ' ' PRO . 29.7 p -91.64 164.81 22.73 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.654 -0.703 . . . . 0.88 110.312 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 138' ' ' THR . 82.2 Cg_exo -47.38 -43.82 25.97 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.781 2.32 . . . . 0.93 113.288 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.74 -19.42 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.592 -0.276 . . . . 0.89 111.685 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -118.35 31.17 6.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.614 -0.266 . . . . 1.1 111.022 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 137' ' ' VAL . 40.2 m -85.16 -4.55 59.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.111 -0.236 . . . . 1.23 111.628 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.2 m -83.1 106.35 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.023 0.44 . . . . 0.48 110.184 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.461 HD13 HD23 ' A' ' 121' ' ' LEU . 10.5 mm -106.5 136.53 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.978 -0.555 . . . . 0.27 110.091 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.7 m -88.99 114.23 25.38 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.426 -0.583 . . . . 0.21 109.426 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 148' ' ' ILE . 11.3 p -112.53 113.93 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 122.279 1.038 . . . . 0.2 111.056 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 76.6 mtp -101.87 100.98 11.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.881 -1.054 . . . . 1.62 109.134 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.589 HG13 HG22 ' A' ' 146' ' ' VAL . 39.8 mt -119.53 133.04 67.62 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 CA-C-N 116.476 -0.329 . . . . 0.19 110.18 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 11.7 mmmm -125.79 86.69 57.16 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 109.198 -0.667 . . . . 1.18 109.198 175.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -82.94 166.32 14.89 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.158 2.572 . . . . 0.78 111.514 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 17.2 m120 66.14 168.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.75 0.656 . . . . 3.2 110.082 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 74.6 mt 59.2 44.53 15.57 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.345 0.593 . . . . 5.57 109.406 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -68.57 94.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.05 -0.977 . . . . 5.3 111.406 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -98.51 -11.7 22.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.608 -0.724 . . . . 7.87 110.254 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -117.02 96.12 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.071 -0.513 . . . . 8.16 110.573 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -76.94 119.82 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 9.6 110.013 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -111.48 151.94 28.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.362 -0.381 . . . . 11.32 110.344 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 69.06 -178.56 0.22 Allowed 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.779 0.674 . . . . 13.83 110.674 -174.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.0 t60 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.389 -0.815 . . . . 15.61 109.762 -178.689 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.148 -0.316 . . . . 3.72 110.148 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 132' ' ' LEU . 12.8 t -93.99 81.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.585 0.707 . . . . 1.18 109.429 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -99.31 102.89 14.65 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.156 -0.929 . . . . 3.06 110.118 -176.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.63 115.06 27.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.809 0.338 . . . . 0.54 111.011 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.2 m -96.52 93.42 6.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.521 -0.548 . . . . 0.26 109.521 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 119' ' ' LEU . 13.9 mt -80.28 98.2 7.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.72 109.8 -175.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -89.72 112.85 24.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.891 -0.595 . . . . 1.39 110.385 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.3 tttt -93.48 111.06 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.4 110.464 -175.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 pt -111.02 33.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.085 -0.507 . . . . 0.64 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -114.68 -91.77 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.936 -0.305 . . . . 1.22 111.647 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.04 136.98 4.68 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.359 -0.237 . . . . 0.6 110.359 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.59 10.43 40.0 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.55 -1.438 . . . . 0.77 112.146 -3.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 75.79 150.37 0.11 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.998 -1.001 . . . . 1.96 112.502 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 1.5 p90 -178.71 -177.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.929 -1.032 . . . . 0.32 109.181 176.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -140.86 113.45 8.15 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.01 -0.367 . . . . 1.32 110.01 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 pt -116.68 132.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.38 110.853 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.06 116.16 31.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.03 0.443 . . . . 1.45 109.895 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -128.16 131.1 48.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 2.42 110.516 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -103.75 120.65 41.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.115 -0.493 . . . . 1.83 110.07 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.486 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.5 m-85 -124.41 155.1 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 0.97 110.788 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -66.12 141.27 97.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.81 110.658 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.96 -7.28 9.31 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.303 2.669 . . . . 0.73 113.966 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -112.88 7.46 18.34 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.662 -0.415 . . . . 0.89 111.589 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -81.85 169.99 16.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.026 -0.361 . . . . 1.37 110.026 176.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.6 p -107.06 156.3 18.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.009 0.433 . . . . 0.32 111.121 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.493 HG23 HD12 ' A' ' 119' ' ' LEU . 38.7 mm -59.28 -25.69 31.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.685 -0.688 . . . . 0.24 109.988 172.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.38 -39.83 84.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.705 -0.68 . . . . 0.71 110.536 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.404 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 29.5 mm-40 -61.73 -43.5 98.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.956 -0.565 . . . . 0.7 110.028 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 41.5 mt -65.15 -42.72 94.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.279 -0.873 . . . . 0.21 110.357 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.52 ' HD3' ' HB ' ' A' ' 114' ' ' ILE . 37.5 mttp -63.25 -50.04 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.631 -0.713 . . . . 0.94 111.522 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -59.9 -25.81 65.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.287 0.565 . . . . 0.83 110.479 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 19.6 t60 -77.5 -40.24 43.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.419 -0.809 . . . . 1.21 109.605 -176.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 39.4 mt -69.98 -32.78 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.015 -0.539 . . . . 0.18 110.204 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 114' ' ' ILE . 68.4 mt -64.25 -42.74 96.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.479 0.657 . . . . 0.17 109.531 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -63.72 -40.07 95.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.8 -1.091 . . . . 0.61 111.411 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 9.7 pt-20 -94.76 21.02 7.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.793 0.33 . . . . 0.42 111.75 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 55.15 44.92 27.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.644 -0.707 . . . . 1.86 112.214 174.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.489 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 41.9 mmtm -107.01 -8.39 16.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.952 -0.567 . . . . 1.22 110.147 177.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -152.0 178.92 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.754 . . . . 0.29 110.954 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 t -103.48 -53.32 2.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 1.23 110.019 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.445 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 44.8 m80 -136.01 171.3 14.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.879 -0.415 . . . . 1.47 109.879 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.52 ' HB ' ' HD3' ' A' ' 102' ' ' LYS . 17.7 pt -59.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 120.594 0.235 . . . . 0.26 111.574 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 114' ' ' ILE . 14.9 t -74.08 -7.34 52.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.021 0.378 . . . . 1.5 112.021 -175.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 113' ' ' HIS . 39.2 mm-40 -80.9 3.74 21.73 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.781 0.801 . . . . 0.8 109.495 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.412 ' HA ' HG12 ' A' ' 148' ' ' ILE . 60.7 mt -114.05 106.11 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 113.939 -1.482 . . . . 0.26 109.504 177.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.439 ' NZ ' HG13 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -98.06 112.84 24.64 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.21 -0.663 . . . . 1.01 109.21 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.493 HD12 HG23 ' A' ' 98' ' ' ILE . 19.3 mt -104.1 129.33 51.79 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.809 0.338 . . . . 0.73 110.235 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 mp -127.89 134.58 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 0.23 109.62 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.8 tt -113.89 102.58 10.35 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.59 -0.893 . . . . 1.36 108.59 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 62.47 32.62 16.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.668 0.747 . . . . 2.47 109.834 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.79 -18.83 56.69 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.541 -0.754 . . . . 0.47 112.579 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -73.47 124.18 25.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.579 0.228 . . . . 1.94 110.742 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.439 HG13 ' NZ ' ' A' ' 118' ' ' LYS . 55.4 t -69.16 122.04 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 0.3 111.091 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.596 HD22 HD22 ' A' ' 135' ' ' LEU . 19.2 mt -96.95 139.72 32.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.704 -0.85 . . . . 0.31 108.704 173.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -85.94 178.07 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.992 -0.373 . . . . 1.67 109.992 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.502 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 5.9 p-10 -61.32 -44.18 97.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.74 -0.209 . . . . 0.45 111.516 -177.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -115.13 27.98 9.01 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.331 0.493 . . . . 1.91 112.331 -174.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.427 HD12 HD21 ' A' ' 135' ' ' LEU . 0.2 OUTLIER -63.92 132.03 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.146 -0.316 . . . . 0.39 110.146 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 60.0 m-85 -78.35 138.67 38.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.412 . . . . 0.47 110.666 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.415 HD23 HG11 ' A' ' 74' ' ' VAL . 10.3 mp -67.01 -15.34 63.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.587 . . . . 0.28 111.588 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 p -69.71 -24.98 63.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.077 0.465 . . . . 1.25 110.814 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -91.07 -20.86 21.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 1.93 109.587 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.596 HD22 HD22 ' A' ' 126' ' ' LEU . 35.5 mt -83.72 -58.05 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.358 -0.837 . . . . 0.42 110.87 -177.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.67 72.43 0.53 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.712 0.633 . . . . 2.87 111.573 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 37.9 t -79.94 103.07 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.48 109.779 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.7 p -88.71 161.96 40.2 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.999 -0.546 . . . . 0.88 110.818 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.23 -46.72 21.88 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.625 2.217 . . . . 0.93 113.078 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.45 -6.79 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.89 111.957 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -126.5 31.6 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.216 0.531 . . . . 1.1 109.773 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.9 p -79.6 -17.35 54.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.566 -0.743 . . . . 1.23 111.663 -173.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 43.5 m -73.18 104.93 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 0.48 110.306 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.405 HG21 HD22 ' A' ' 119' ' ' LEU . 35.1 mm -106.19 143.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.784 -0.643 . . . . 0.27 109.843 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 m -95.19 119.16 33.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.684 -0.487 . . . . 0.21 109.684 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 7.2 p -119.68 121.75 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-O 122.115 0.96 . . . . 0.2 110.867 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.423 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 55.9 mtt -105.36 101.14 10.7 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.014 -0.993 . . . . 1.62 108.875 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.565 HG13 HG22 ' A' ' 146' ' ' VAL . 45.6 mt -119.64 137.65 52.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.33 -0.395 . . . . 0.19 110.397 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.502 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 9.9 mmmm -125.43 104.72 28.11 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.213 -0.662 . . . . 1.18 109.213 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -68.92 85.93 0.48 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.753 2.302 . . . . 0.78 112.24 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -68.27 82.39 0.24 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.645 . . . . 3.2 109.436 172.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.7 mt -148.28 146.37 28.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.234 -0.894 . . . . 5.57 109.536 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.82 47.16 1.21 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.103 0.478 . . . . 5.3 110.858 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -71.99 -17.83 62.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.92 0.391 . . . . 7.87 110.965 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -95.27 92.85 6.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.318 -0.401 . . . . 8.16 110.142 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -102.39 159.71 15.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.221 -0.445 . . . . 9.6 110.22 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -139.87 23.97 2.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.237 0.541 . . . . 11.32 109.749 174.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 62.95 78.86 0.28 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.019 -0.991 . . . . 13.83 111.311 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.405 -0.807 . . . . 15.61 109.901 178.008 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.2 ptp . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.809 0.338 . . . . 3.72 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 92' ' ' PHE . 15.9 t -88.24 78.25 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.455 0.645 . . . . 1.18 110.104 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -97.88 110.95 23.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.52 -0.764 . . . . 3.06 109.685 177.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.53 115.08 27.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.092 -0.504 . . . . 0.54 110.188 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 m -90.56 92.56 8.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.47 -0.567 . . . . 0.26 109.47 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.64 104.62 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.797 -0.638 . . . . 0.72 109.784 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -98.52 114.1 26.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.967 0.413 . . . . 1.39 110.42 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 84.9 tttt -98.26 105.53 17.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.663 -0.699 . . . . 0.4 110.946 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.25 40.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.598 -0.728 . . . . 0.64 110.731 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.8 mm-40 -116.49 -88.13 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.834 -0.621 . . . . 1.22 111.684 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.59 133.75 1.73 Allowed Pre-proline 0 N--CA 1.465 0.305 0 CA-C-O 120.342 0.115 . . . . 0.6 110.703 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.1 12.91 26.33 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 124.212 -1.161 . . . . 0.77 112.051 -1.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt 74.91 147.98 0.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.356 -0.838 . . . . 1.96 112.12 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.483 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.2 p90 -179.01 173.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.266 -0.879 . . . . 0.32 109.267 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 p -132.34 121.16 23.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.838 0.351 . . . . 1.32 110.362 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 pt -127.25 158.47 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 0.38 110.807 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -130.33 131.85 45.57 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.769 -0.826 . . . . 1.45 108.769 169.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -130.19 135.27 47.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.338 -0.392 . . . . 2.42 110.647 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.95 123.67 40.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.981 -0.554 . . . . 1.83 110.88 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 101' ' ' ILE . 38.5 m-85 -135.88 167.06 21.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 0.97 110.661 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -93.23 147.36 33.63 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.91 -0.587 . . . . 0.81 110.548 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.82 -10.06 21.13 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.22 2.613 . . . . 0.73 114.771 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -114.0 10.38 17.54 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.686 -0.634 . . . . 0.89 111.087 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.3 168.47 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.197 -0.668 . . . . 1.37 109.197 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -108.63 148.05 30.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.128 0.489 . . . . 0.32 111.075 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.546 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 28.1 mm -55.85 -27.72 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.306 -0.861 . . . . 0.24 110.538 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.64 -36.99 74.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.71 110.432 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -63.79 -40.8 97.52 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.562 -0.532 . . . . 0.7 109.562 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 92' ' ' PHE . 22.9 mt -67.86 -42.86 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.221 -0.899 . . . . 0.21 110.267 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 98' ' ' ILE . 33.2 mmtp -59.13 -55.36 36.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.46 -0.791 . . . . 0.94 110.86 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -63.11 -21.41 66.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.83 110.751 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.67 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 58.1 t-80 -73.45 -42.63 61.73 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.81 -0.811 . . . . 1.21 108.81 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 117' ' ' ILE . 81.2 mt -69.37 -33.92 73.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 0.18 110.593 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.5 HD11 ' N ' ' A' ' 114' ' ' ILE . 67.0 mt -61.7 -51.31 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.31 0.576 . . . . 0.17 110.335 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 p -69.55 -24.11 63.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 0.61 111.87 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.8 pt-20 -96.82 17.64 16.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.787 0.327 . . . . 0.42 111.178 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 56.68 39.2 29.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.806 -0.634 . . . . 1.86 112.138 174.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.503 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 33.0 mmtp -105.16 -7.2 19.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.506 0.669 . . . . 1.22 109.349 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.68 178.74 8.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.9 -1.045 . . . . 0.29 110.385 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.516 ' HB3' ' HG3' ' A' ' 116' ' ' GLU . 40.1 t -108.86 -51.82 2.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.062 -0.517 . . . . 1.23 111.133 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.443 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 14.2 m80 -127.54 167.91 15.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.621 -0.511 . . . . 1.47 109.621 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.506 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 29.8 pt -62.08 -33.26 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.445 0.641 . . . . 0.26 110.185 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.8 p -85.63 -6.0 59.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.302 -0.863 . . . . 1.5 112.673 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HG3' ' HB3' ' A' ' 112' ' ' SER . 46.7 mm-40 -82.06 -2.81 53.06 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.828 -0.804 . . . . 0.8 108.828 174.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.499 ' HB ' ' HD2' ' A' ' 102' ' ' LYS . 33.1 mt -116.41 108.4 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 114.29 -1.323 . . . . 0.26 110.049 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -99.2 112.5 24.64 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.171 -0.677 . . . . 1.01 109.171 175.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.459 ' N ' ' HE3' ' A' ' 118' ' ' LYS . 39.7 mt -98.28 125.3 43.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.66 -0.496 . . . . 0.73 109.66 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 3.7 mp -127.3 137.17 52.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.904 -0.406 . . . . 0.23 109.904 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 35.9 tp -114.72 100.77 8.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.295 -0.412 . . . . 1.36 109.969 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 43.2 tttp 58.44 38.04 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.72 -0.673 . . . . 2.47 110.472 176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.71 -15.54 59.6 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.848 -0.615 . . . . 0.47 112.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 55.7 tptt -81.76 121.11 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 1.94 110.914 -178.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 87.2 t -74.91 112.2 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.3 110.757 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.695 HD22 HD22 ' A' ' 135' ' ' LEU . 17.1 mt -90.25 131.11 36.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 0.31 109.197 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -85.9 170.76 12.05 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.958 -0.297 . . . . 1.67 111.394 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -49.15 -50.78 35.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.45 112.516 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -114.92 30.51 7.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.021 0.438 . . . . 1.91 111.884 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -64.4 133.06 51.81 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.966 -0.459 . . . . 0.39 109.931 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.02 137.73 37.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 0.47 110.59 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.74 -15.51 63.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 0.28 111.235 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.3 p -69.88 -29.27 66.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 1.25 110.778 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -82.73 -27.6 31.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.419 0.628 . . . . 1.93 109.596 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.695 HD22 HD22 ' A' ' 126' ' ' LEU . 31.4 mt -81.78 -55.56 4.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.29 -0.868 . . . . 0.42 110.703 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.5 tptp 56.32 69.79 0.71 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.356 -0.838 . . . . 2.87 110.473 -176.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.5 t -73.96 102.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.446 -0.797 . . . . 0.48 109.843 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 22.9 p -85.35 161.79 50.58 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.401 -0.818 . . . . 0.88 110.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -46.96 -46.37 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.816 2.344 . . . . 0.93 113.012 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.15 -20.53 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 0.89 111.688 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -115.93 30.06 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.998 0.428 . . . . 1.1 110.486 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.7 p -79.59 -18.74 50.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.093 -0.503 . . . . 1.23 111.895 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.8 m -76.63 113.69 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 0.48 110.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.437 HG21 HD22 ' A' ' 119' ' ' LEU . 27.4 mm -111.06 138.99 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.27 110.444 -176.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.8 m -86.96 107.59 18.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.54 -0.541 . . . . 0.21 109.54 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 148' ' ' ILE . 13.2 p -108.62 112.03 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.16 0.981 . . . . 0.2 111.091 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 81.9 mtp -99.05 102.38 14.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.028 -0.987 . . . . 1.62 109.585 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.593 HG13 HG22 ' A' ' 146' ' ' VAL . 72.1 mt -119.63 139.09 48.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.333 -0.394 . . . . 0.19 111.04 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.506 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.6 mmtp -135.12 108.37 10.46 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 108.266 -1.013 . . . . 1.18 108.266 170.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 151' ' ' ASN . 31.4 Cg_exo -58.63 100.91 0.12 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.532 2.155 . . . . 0.78 111.97 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 150' ' ' PRO . 89.0 m-20 70.48 97.33 0.07 Allowed 'General case' 0 C--O 1.234 0.269 0 O-C-N 124.052 0.845 . . . . 3.2 110.64 -176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.8 -28.58 66.11 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.196 0.522 . . . . 5.57 109.875 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.77 94.52 3.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.237 -0.892 . . . . 5.3 109.732 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -112.42 127.92 56.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.045 -0.525 . . . . 7.87 110.771 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 18.9 t60 64.04 82.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.446 -0.797 . . . . 8.16 110.978 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -124.28 104.79 9.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 9.6 110.641 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -129.13 113.27 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.24 -0.437 . . . . 11.32 110.25 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -84.71 -19.92 32.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.083 0.468 . . . . 13.83 110.094 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.626 -0.702 . . . . 15.61 109.718 175.66 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.7 ttt . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.663 0.268 . . . . 3.72 110.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.568 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 18.1 t -104.94 102.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 1.18 109.857 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -121.59 100.31 6.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.046 -0.525 . . . . 3.06 110.241 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.87 118.88 28.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.931 0.396 . . . . 0.54 110.955 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.9 m -103.12 93.25 4.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.356 -0.609 . . . . 0.26 109.356 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.1 102.29 10.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.669 -0.696 . . . . 0.72 109.867 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -93.15 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.872 0.368 . . . . 1.39 110.447 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 85.5 tttt -99.8 110.26 22.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 0.4 110.61 -176.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 pt -113.21 42.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.425 0.631 . . . . 0.64 110.685 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.538 ' HB3' ' CD ' ' A' ' 149' ' ' LYS . 26.4 mm-40 -116.19 -95.2 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 1.22 111.719 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.57 136.55 3.58 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 110.627 -0.138 . . . . 0.6 110.627 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.4 16.58 12.94 Favored 'Cis proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.624 -1.407 . . . . 0.77 112.823 -6.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 74.65 154.47 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.522 0.729 . . . . 1.96 112.387 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.574 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 0.4 OUTLIER 179.84 -177.25 0.35 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.664 0.786 . . . . 0.32 109.79 174.271 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.4 m -141.11 124.36 16.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.5 -0.556 . . . . 1.32 109.5 171.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.32 138.88 53.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 0.38 110.9 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.32 117.1 33.19 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.129 0.49 . . . . 1.45 109.73 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . 1.5 m-70 -127.31 121.19 30.4 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.851 -0.613 . . . . 2.42 109.914 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.18 135.23 42.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.204 -0.453 . . . . 1.83 110.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.467 ' O ' ' HB ' ' A' ' 74' ' ' VAL . 72.2 m-85 -142.16 163.91 31.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.111 -0.495 . . . . 0.97 110.426 -178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -78.85 150.28 75.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.778 -0.646 . . . . 0.81 109.763 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.3 -4.93 11.45 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.954 2.436 . . . . 0.73 113.76 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.1 m -105.23 5.76 32.36 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.677 -0.409 . . . . 0.89 110.98 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.42 173.95 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.272 -0.64 . . . . 1.37 109.272 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.505 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 57.3 p -126.41 151.28 47.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.49 . . . . 0.32 110.847 -177.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.469 HD13 HD12 ' A' ' 101' ' ' ILE . 47.0 mm -60.78 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.425 -0.807 . . . . 0.24 110.913 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.96 -36.92 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.014 -0.365 . . . . 0.71 110.014 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.505 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 27.7 mm-40 -70.41 -33.05 70.92 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.819 -0.353 . . . . 0.7 110.316 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.469 HD12 HD13 ' A' ' 98' ' ' ILE . 43.4 mt -69.91 -42.62 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.218 0.532 . . . . 0.21 109.877 176.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HD3' ' HB ' ' A' ' 114' ' ' ILE . 39.9 mttp -62.1 -50.62 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 0.94 110.937 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -58.22 -29.73 65.94 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.266 0.555 . . . . 0.83 110.423 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.674 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 51.9 t-80 -71.82 -45.97 59.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.38 -0.827 . . . . 1.21 109.172 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 42.9 mt -64.25 -35.42 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.604 . . . . 0.18 110.162 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.494 HD11 ' N ' ' A' ' 114' ' ' ILE . 73.7 mt -60.97 -50.1 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 0.17 110.2 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.2 p -66.41 -22.6 66.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.666 -0.697 . . . . 0.61 111.598 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.674 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -104.33 22.97 13.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.208 -0.308 . . . . 0.42 111.353 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.96 37.23 24.63 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.618 -0.719 . . . . 1.86 112.409 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 86' ' ' PHE . 43.7 mmtm -103.08 -10.03 19.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.284 -0.416 . . . . 1.22 110.783 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.53 170.93 18.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.29 111.413 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 m -88.37 -61.19 1.77 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.813 -0.63 . . . . 1.23 110.938 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -133.78 171.58 13.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.955 -0.387 . . . . 1.47 109.955 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.591 ' HB ' ' HD3' ' A' ' 102' ' ' LYS . 23.1 pt -57.45 -51.65 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 112.088 0.403 . . . . 0.26 112.088 -172.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 114' ' ' ILE . 13.6 t -73.41 -8.3 55.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.076 0.398 . . . . 1.5 112.076 -175.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.15 -4.58 42.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.571 0.7 . . . . 0.8 109.513 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.416 ' HA ' HG12 ' A' ' 148' ' ' ILE . 54.6 mt -109.58 104.88 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 114.023 -1.444 . . . . 0.26 109.657 177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.11 113.23 25.05 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.24 -0.652 . . . . 1.01 109.24 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.446 HD12 HG23 ' A' ' 98' ' ' ILE . 30.3 mt -102.5 131.94 48.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.718 0.294 . . . . 0.73 110.347 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.03 132.13 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.133 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.0 tp -115.2 104.88 12.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.129 -0.487 . . . . 1.36 110.263 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt 60.7 41.86 14.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.475 0.655 . . . . 2.47 110.335 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.44 69.8 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.47 112.814 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -90.43 124.15 34.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 1.94 111.213 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.3 117.36 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.3 111.005 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 135' ' ' LEU . 46.2 mt -89.56 142.32 27.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.02 -0.734 . . . . 0.31 109.02 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -88.7 176.34 7.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.003 -0.279 . . . . 1.67 111.145 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.41 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 9.5 p-10 -61.11 -50.7 72.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.273 -0.421 . . . . 0.45 111.979 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -115.05 29.18 8.21 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.595 0.591 . . . . 1.91 112.595 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 134.87 54.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.796 0.331 . . . . 0.39 110.45 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -77.48 141.31 39.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.47 110.202 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.448 HD23 HG11 ' A' ' 74' ' ' VAL . 10.5 mp -68.07 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.28 111.538 -177.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 m -64.11 -39.22 93.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.22 0.533 . . . . 1.25 110.633 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.37 -30.59 53.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 1.93 109.981 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 126' ' ' LEU . 25.4 mt -75.15 -55.52 5.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.86 . . . . 0.42 110.785 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 61.3 tttp 57.44 72.74 0.5 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.752 -0.658 . . . . 2.87 111.052 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 41.4 t -84.66 101.66 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.48 110.133 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 139' ' ' PRO . 40.2 p -91.76 167.53 15.17 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 0.88 109.975 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 138' ' ' THR . 80.7 Cg_exo -48.41 -35.12 27.28 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.126 1.884 . . . . 0.93 112.813 174.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.09 -28.25 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.89 111.594 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.431 ' O ' HG13 ' A' ' 137' ' ' VAL . 47.4 m-80 -113.79 27.69 9.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.258 -0.428 . . . . 1.1 110.075 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.2 p -75.05 -21.17 59.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.826 -0.625 . . . . 1.23 111.811 -172.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.4 m -72.99 110.7 7.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.131 0.491 . . . . 0.48 110.52 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.413 HG21 HD22 ' A' ' 119' ' ' LEU . 24.1 mm -113.27 137.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.946 -0.57 . . . . 0.27 109.849 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.3 m -92.51 113.79 26.17 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.414 -0.587 . . . . 0.21 109.414 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 148' ' ' ILE . 14.2 p -113.82 111.5 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 122.213 1.006 . . . . 0.2 110.906 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 15.4 mmt -98.73 101.46 12.88 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.988 -1.005 . . . . 1.62 109.22 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.597 HG13 HG22 ' A' ' 146' ' ' VAL . 55.0 mt -116.95 134.4 60.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.444 -0.344 . . . . 0.19 110.395 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.538 ' CD ' ' HB3' ' A' ' 82' ' ' GLN . 10.7 mmmm -128.01 91.03 45.88 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.791 -0.363 . . . . 1.18 110.061 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.0 131.83 45.89 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.78 111.577 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -84.08 57.98 4.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.36 0.6 . . . . 3.2 110.399 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 90.2 mt -91.62 102.76 15.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.515 -0.766 . . . . 5.57 109.507 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -112.55 40.7 2.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.128 -0.487 . . . . 5.3 110.851 -175.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -75.76 -58.32 3.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.114 -0.328 . . . . 7.87 110.114 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -97.94 41.05 1.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.533 0.683 . . . . 8.16 109.826 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -59.15 132.29 53.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.988 -1.006 . . . . 9.6 111.43 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -147.98 102.15 3.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.5 0.667 . . . . 11.32 110.471 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -137.19 173.01 12.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.562 -0.745 . . . . 13.83 109.97 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 . . . . . 0 C--O 1.245 0.835 0 CA-C-N 116.261 -0.427 . . . . 15.61 110.488 178.825 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.699 0.285 . . . . 3.72 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.6 t -82.54 85.91 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.25 0.548 . . . . 1.18 111.282 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -114.54 121.33 43.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.928 -0.578 . . . . 3.06 110.16 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 76' ' ' LEU . 6.2 mp -105.45 115.29 30.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.037 0.446 . . . . 0.54 110.473 -177.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -89.02 96.96 10.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.348 -0.612 . . . . 0.26 109.348 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.434 ' HB2' ' CG1' ' A' ' 88' ' ' ILE . 53.1 mt -79.75 96.62 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.639 0.733 . . . . 0.72 109.516 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -94.77 102.5 14.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.814 -1.085 . . . . 1.39 109.955 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 85.8 tttt -91.42 105.26 17.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 0.4 110.745 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.2 pt -106.74 27.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.607 -0.724 . . . . 0.64 110.743 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.488 ' HB3' ' HE3' ' A' ' 149' ' ' LYS . 84.3 mm-40 -102.38 -96.28 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.22 112.21 -175.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 84' ' ' PRO . . . -158.54 133.26 5.43 Favored Pre-proline 0 C--N 1.332 -0.172 0 O-C-N 122.375 -0.203 . . . . 0.6 110.829 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 83' ' ' ALA . 87.8 Cg_endo -83.71 18.48 22.51 Favored 'Cis proline' 0 C--N 1.346 0.447 0 C-N-CA 123.642 -1.399 . . . . 0.77 112.273 -2.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 74.7 143.13 0.07 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.189 -0.914 . . . . 1.96 112.803 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.46 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 3.7 p90 -170.11 175.62 4.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.721 -1.127 . . . . 0.32 108.32 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -144.2 116.1 8.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.027 0.441 . . . . 1.32 109.898 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 22.3 pt -119.41 159.41 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.856 -0.611 . . . . 0.38 110.772 -175.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -123.3 116.54 23.51 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.361 -0.607 . . . . 1.45 109.361 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . 1.8 m-70 -134.88 122.86 22.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.787 0.327 . . . . 2.42 110.729 -176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -95.25 145.39 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.857 0.36 . . . . 1.83 110.035 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 90' ' ' HIS . 97.7 m-85 -141.14 162.12 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.052 -0.522 . . . . 0.97 110.012 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -74.33 144.36 81.22 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.384 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.9 -3.54 10.7 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.896 2.397 . . . . 0.73 113.149 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -113.81 9.9 17.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.031 0.443 . . . . 0.89 110.526 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -82.57 172.46 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.711 . . . . 1.37 109.079 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.567 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 24.0 p -116.11 151.8 34.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.792 0.33 . . . . 0.32 110.965 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.7 mm -57.18 -29.4 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.803 -0.635 . . . . 0.24 110.364 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.31 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.71 110.403 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.567 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 32.2 mm-40 -67.49 -37.63 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.764 -0.458 . . . . 0.7 109.764 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 98' ' ' ILE . 53.8 mt -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.21 110.18 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.625 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 76.6 mttt -65.31 -47.96 74.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.574 -0.739 . . . . 0.94 110.797 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 106' ' ' ILE . 18.9 mm-40 -59.93 -25.35 65.09 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.369 0.604 . . . . 0.83 110.287 175.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.578 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.9 t60 -75.61 -41.29 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.145 -0.934 . . . . 1.21 109.419 -174.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.412 HD12 HG21 ' A' ' 117' ' ' ILE . 43.0 mt -68.92 -34.11 74.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.061 -0.518 . . . . 0.18 109.913 177.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 102' ' ' LYS . 75.7 mt -61.38 -47.72 92.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.17 110.257 173.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.7 p -65.85 -24.3 66.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.625 . . . . 0.61 111.877 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.7 pt-20 -106.8 20.42 19.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.723 -0.391 . . . . 0.42 111.474 178.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.51 41.45 28.67 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.767 -0.651 . . . . 1.86 112.29 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 41.4 mmtm -100.65 -11.0 20.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.925 -0.579 . . . . 1.22 109.75 174.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.89 -178.15 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.444 -0.798 . . . . 0.29 110.721 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.6 m -103.94 -59.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.262 -0.426 . . . . 1.23 111.642 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -133.16 173.72 11.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.763 -0.199 . . . . 1.47 110.542 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.625 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 26.2 pt -65.44 -50.64 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.307 0.484 . . . . 0.26 112.307 -170.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 114' ' ' ILE . 18.4 t -70.61 -13.8 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.064 -0.398 . . . . 1.5 111.475 -176.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 9.4 mm-40 -73.49 -5.94 43.28 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.505 0.669 . . . . 0.8 109.464 174.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.437 HG22 ' CD1' ' A' ' 119' ' ' LEU . 41.9 mt -116.02 102.18 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 114.309 -1.314 . . . . 0.26 109.456 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.99 112.95 24.93 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.372 -0.603 . . . . 1.01 109.372 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 117' ' ' ILE . 6.8 mp -97.38 127.85 43.69 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.132 -0.322 . . . . 0.73 110.132 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 5.0 mp -124.33 134.68 53.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.98 -0.378 . . . . 0.23 109.98 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.68 101.49 9.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.8 -0.815 . . . . 1.36 108.8 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.4 tttp 61.4 36.01 17.55 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.719 0.771 . . . . 2.47 109.653 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.43 -11.79 71.13 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.585 -0.734 . . . . 0.47 112.799 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 4.9 tppp? -74.44 119.63 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 1.94 110.85 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -70.86 112.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 0.3 110.616 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.541 HD22 HD22 ' A' ' 135' ' ' LEU . 46.2 mt -88.88 132.35 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.417 -0.586 . . . . 0.31 109.417 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -77.15 162.15 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.149 -0.221 . . . . 1.67 111.251 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -51.25 -44.78 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.35 0.406 . . . . 0.45 111.821 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -114.81 28.87 8.42 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.176 0.806 . . . . 1.91 113.176 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 133.24 46.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.622 0.249 . . . . 0.39 110.373 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 57.1 m-85 -76.84 140.91 40.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.47 110.586 177.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.25 -15.21 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.28 111.207 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 t -69.62 -31.25 69.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.186 0.517 . . . . 1.25 109.794 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -82.6 -17.95 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.758 -0.655 . . . . 1.93 109.9 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.541 HD22 HD22 ' A' ' 126' ' ' LEU . 47.5 mt -92.66 -56.49 2.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.84 -176.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.5 mttp 55.01 76.14 0.27 Allowed 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.734 0.646 . . . . 2.87 110.541 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.47 100.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.303 0.573 . . . . 0.48 110.069 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 33.9 p -68.97 139.11 90.35 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.035 -0.984 . . . . 0.88 110.447 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -53.8 -27.9 45.43 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.179 2.586 . . . . 0.93 113.141 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.14 -22.67 59.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 0.89 111.146 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -125.54 45.21 2.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.254 -0.647 . . . . 1.1 109.254 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p -86.66 -8.66 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.387 -0.824 . . . . 1.23 111.437 -174.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.8 m -80.89 99.04 8.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.196 0.522 . . . . 0.48 109.852 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.0 mm -89.13 131.29 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.452 -0.794 . . . . 0.27 109.603 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.0 m -85.93 104.62 15.74 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.877 -0.786 . . . . 0.21 108.877 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.473 HG22 HG13 ' A' ' 148' ' ' ILE . 8.8 p -105.23 107.74 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 122.45 1.119 . . . . 0.2 110.843 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 57.5 mtt -88.16 102.82 15.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.851 -1.068 . . . . 1.62 109.575 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 116' ' ' GLU . 68.5 mt -121.23 135.22 62.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.382 -0.372 . . . . 0.19 111.142 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' A' ' 82' ' ' GLN . 33.3 mmtp -132.63 97.19 17.65 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 1.18 109.802 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.77 156.33 66.46 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.539 2.159 . . . . 0.78 111.767 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -81.61 15.59 2.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 3.2 110.468 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.1 tp -75.31 72.02 2.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.871 -0.604 . . . . 5.57 110.266 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -97.52 -28.35 14.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.907 -0.588 . . . . 5.3 109.89 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -62.19 -41.04 97.97 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.163 -0.471 . . . . 7.87 110.848 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 43.3 m80 50.88 56.95 7.2 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.392 0.432 . . . . 8.16 110.721 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -121.08 55.42 1.06 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.081 0.467 . . . . 9.6 111.015 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -124.91 74.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.937 -0.574 . . . . 11.32 110.283 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -100.6 11.82 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.155 -0.475 . . . . 13.83 111.243 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.265 -0.874 . . . . 15.61 109.744 178.885 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.806 0.336 . . . . 3.72 111.085 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 p -131.97 103.39 6.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.553 0.692 . . . . 1.18 110.744 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' CD2' ' HB2' ' A' ' 91' ' ' ASP . 64.4 m80 -92.81 120.31 33.05 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.607 -0.724 . . . . 3.06 110.066 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.37 115.02 27.72 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.05 0.453 . . . . 0.54 110.107 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' A' ' 143' ' ' THR . 45.4 m -83.31 93.57 7.75 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.268 -0.642 . . . . 0.26 109.268 175.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.453 HD22 HD21 ' A' ' 119' ' ' LEU . 17.8 mt -79.5 96.83 6.21 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.874 -0.787 . . . . 0.72 108.874 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' C ' HG12 ' A' ' 146' ' ' VAL . 83.6 tttt -95.88 113.54 25.17 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.377 -0.828 . . . . 1.39 110.522 -173.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 88.6 tttt -97.38 111.32 23.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.897 -0.592 . . . . 0.4 110.591 -175.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 38.0 pt -113.26 18.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.875 -0.602 . . . . 0.64 111.442 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 15.0 mm-40 -98.36 -90.85 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.88 0.326 . . . . 1.22 111.88 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.56 139.09 3.05 Favored Pre-proline 0 N--CA 1.465 0.298 0 C-N-CA 121.482 -0.087 . . . . 0.6 111.146 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.39 15.11 12.42 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 124.031 -1.237 . . . . 0.77 112.612 -7.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 75.74 154.73 0.16 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.503 0.721 . . . . 1.96 112.566 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -175.21 -179.04 1.26 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.431 -0.804 . . . . 0.32 109.385 173.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -145.79 104.85 3.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.884 0.373 . . . . 1.32 110.198 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 78' ' ' LEU . 19.6 pt -116.42 158.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.185 -0.461 . . . . 0.38 110.83 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -130.81 121.31 25.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.788 -0.449 . . . . 1.45 109.788 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -127.85 144.57 51.09 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.896 0.379 . . . . 2.42 110.939 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.436 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . 17.4 t70 -100.58 123.8 45.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.977 -0.556 . . . . 1.83 110.791 -178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CD2' HG12 ' A' ' 101' ' ' ILE . 88.9 m-85 -132.94 153.57 51.28 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.695 -0.684 . . . . 0.97 109.348 177.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -70.92 141.73 87.19 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.562 -0.29 . . . . 0.81 110.228 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.8 -3.29 6.6 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.722 2.282 . . . . 0.73 113.426 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 p -113.6 8.19 17.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 0.89 110.677 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -82.8 172.46 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.683 -0.69 . . . . 1.37 109.8 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.552 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 43.9 p -104.29 148.9 25.83 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.99 0.424 . . . . 0.32 110.755 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.51 HD13 HD12 ' A' ' 101' ' ' ILE . 41.2 mm -59.65 -24.15 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.536 -0.756 . . . . 0.24 109.442 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.21 -39.31 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 0.71 110.062 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.552 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.4 mm-40 -65.93 -36.83 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.7 109.851 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.51 HD12 HD13 ' A' ' 98' ' ' ILE . 45.1 mt -64.25 -48.83 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.515 -0.766 . . . . 0.21 110.4 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.651 ' HD3' ' O ' ' A' ' 114' ' ' ILE . 89.2 mttt -65.59 -43.49 89.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.706 -0.679 . . . . 0.94 110.893 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -59.08 -27.22 65.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.83 110.562 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 59.8 t-80 -79.45 -38.16 35.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.56 -0.746 . . . . 1.21 109.693 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.414 HD12 HG21 ' A' ' 117' ' ' ILE . 54.1 mt -68.49 -30.32 69.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.66 -0.496 . . . . 0.18 109.66 177.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 102' ' ' LYS . 74.4 mt -66.45 -45.34 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.17 110.088 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -73.88 -12.47 60.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.767 -0.651 . . . . 0.61 111.505 -173.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 15.7 pt-20 -112.13 22.02 15.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.742 0.306 . . . . 0.42 111.053 175.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 57.31 39.16 28.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.762 -0.654 . . . . 1.86 112.721 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 74.0 mmtt -101.02 -18.78 16.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.201 -0.454 . . . . 1.22 110.2 175.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 117' ' ' ILE . . . -152.82 176.33 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.218 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t -96.57 -50.84 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 1.23 111.259 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -137.94 168.64 19.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.34 -0.144 . . . . 1.47 111.089 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 18.8 pt -60.83 -48.24 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 111.879 0.326 . . . . 0.26 111.879 -175.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.1 t -72.91 -11.63 60.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.72 0.295 . . . . 1.5 111.59 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 148' ' ' ILE . 46.8 mm-40 -78.84 -4.03 47.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.848 0.832 . . . . 0.8 109.334 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.414 HG21 HD12 ' A' ' 105' ' ' LEU . 53.7 mt -116.12 128.69 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 113.58 -1.646 . . . . 0.26 108.537 174.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.573 ' HD3' HG13 ' A' ' 125' ' ' VAL . 2.3 tmmm? -137.05 115.26 11.67 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.822 -0.751 . . . . 1.01 110.538 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 144' ' ' ILE . 56.4 mt -91.73 146.57 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.437 -0.801 . . . . 0.73 109.961 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 145' ' ' THR . 4.2 mp -129.26 136.19 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.977 -0.379 . . . . 0.23 109.977 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 tt -115.55 108.59 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.615 -0.883 . . . . 1.36 108.615 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' LYS . 61.1 tttp 64.56 28.8 13.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.793 0.806 . . . . 2.47 109.824 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.08 -12.47 67.62 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.621 -0.718 . . . . 0.47 112.412 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -73.31 120.72 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.733 0.301 . . . . 1.94 110.541 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.573 HG13 ' HD3' ' A' ' 118' ' ' LYS . 51.1 t -63.29 120.96 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.608 -0.724 . . . . 0.3 111.15 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 119' ' ' LEU . 29.0 mt -99.14 120.44 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.79 -0.641 . . . . 0.31 109.788 177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -72.75 170.53 14.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.211 -0.449 . . . . 1.67 111.307 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.14 -47.65 74.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.223 -0.444 . . . . 0.45 112.04 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -109.56 29.52 7.49 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.45 0.907 . . . . 1.91 113.45 -172.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -69.74 139.42 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.155 -0.341 . . . . 0.39 110.292 177.274 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 51.3 m-85 -88.57 141.75 28.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.294 . . . . 0.47 110.839 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.7 -16.92 62.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.274 -0.421 . . . . 0.28 111.056 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 p -70.07 -26.25 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.105 0.478 . . . . 1.25 110.644 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -83.82 -36.85 23.19 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.235 -0.654 . . . . 1.93 109.235 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 131' ' ' PHE . 29.9 mt -70.73 -50.83 32.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.033 -0.985 . . . . 0.42 111.022 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt 59.82 75.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.629 -0.714 . . . . 2.87 110.22 -174.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 t -75.23 101.99 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.48 109.34 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.9 p -83.54 155.15 65.86 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.113 -0.494 . . . . 0.88 111.168 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.79 -44.88 21.44 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.014 2.476 . . . . 0.93 113.57 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.57 58.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.505 -0.316 . . . . 0.89 111.782 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -109.33 38.49 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.0 0.429 . . . . 1.1 110.45 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.6 p -85.1 -11.19 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.039 -0.528 . . . . 1.23 111.492 -176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 77' ' ' THR . 33.7 m -80.97 102.08 9.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.402 0.62 . . . . 0.48 110.055 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.461 ' CG2' HD22 ' A' ' 119' ' ' LEU . 17.5 mm -99.74 143.01 14.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.447 -0.797 . . . . 0.27 109.804 -176.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 7.9 m -86.34 107.72 18.12 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.072 -0.344 . . . . 0.21 110.072 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 148' ' ' ILE . 8.3 p -103.83 118.33 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 122.18 0.99 . . . . 0.2 110.772 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 58.8 mtt -105.39 107.55 18.59 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.849 -1.069 . . . . 1.62 109.815 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.498 HG13 HG22 ' A' ' 146' ' ' VAL . 68.0 mt -129.04 141.84 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.19 110.567 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -132.67 95.84 19.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 123.272 0.358 . . . . 1.18 110.15 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.6 101.42 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.313 2.675 . . . . 0.78 112.372 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -77.78 138.81 39.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.914 -0.584 . . . . 3.2 110.549 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -152.46 122.03 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.204 0.526 . . . . 5.57 109.951 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -92.16 15.67 13.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.922 -0.581 . . . . 5.3 111.191 -176.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -120.2 153.18 36.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.565 -0.531 . . . . 7.87 109.565 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 58.19 69.44 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.656 0.597 . . . . 8.16 109.877 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -142.5 35.69 1.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.827 -0.624 . . . . 9.6 110.798 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -122.44 125.94 46.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.003 -0.544 . . . . 11.32 110.585 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -81.69 -23.74 36.65 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.997 -0.742 . . . . 13.83 108.997 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.17 -0.923 . . . . 15.61 109.293 175.57 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.579 -0.526 . . . . 3.72 109.579 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t 55.75 80.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.502 0.668 . . . . 1.18 111.24 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -107.55 128.97 54.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.818 -0.628 . . . . 3.06 110.109 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.5 121.27 43.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.05 0.452 . . . . 0.54 110.938 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -99.59 96.17 7.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.338 -0.615 . . . . 0.26 109.338 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.9 mt -82.74 99.61 9.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.97 -0.559 . . . . 0.72 110.054 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HD3' HG23 ' A' ' 81' ' ' ILE . 6.1 tmmm? -91.6 121.7 33.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 1.39 110.419 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.481 ' HB2' HG13 ' A' ' 146' ' ' VAL . 85.4 tttt -116.15 118.39 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.4 111.476 -174.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.431 HG23 ' HD3' ' A' ' 79' ' ' LYS . 7.9 pt -126.39 43.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.348 0.594 . . . . 0.64 111.267 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 85' ' ' LYS . 29.0 mm-40 -114.69 -85.92 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 1.22 111.285 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.68 133.61 3.19 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 110.561 -0.163 . . . . 0.6 110.561 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -82.84 13.31 33.51 Favored 'Cis proline' 0 C--N 1.346 0.396 0 C-N-CA 123.976 -1.26 . . . . 0.77 112.046 -3.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 82' ' ' GLN . 9.7 mtmp? 74.44 143.63 0.07 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.409 -0.814 . . . . 1.96 112.09 175.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.464 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 2.6 p90 -178.83 -177.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.559 -0.746 . . . . 0.32 109.373 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -144.92 126.73 15.31 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 1.32 109.707 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 pt -128.22 139.85 50.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.28 -0.418 . . . . 0.38 111.359 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -105.48 117.36 33.82 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.843 -0.428 . . . . 1.45 109.843 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -132.56 146.46 51.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.856 0.36 . . . . 2.42 110.744 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -115.2 141.95 47.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.596 -0.52 . . . . 1.83 109.596 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -139.64 149.04 43.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.877 -0.601 . . . . 0.97 109.623 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m -71.93 146.12 89.95 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.161 -0.472 . . . . 0.81 110.815 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.97 -43.63 46.56 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.495 2.13 . . . . 0.73 113.576 -173.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.2 m -87.5 9.75 19.94 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.886 -0.509 . . . . 0.89 111.927 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.17 153.99 24.5 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.989 -1.115 . . . . 1.37 107.989 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.528 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.1 p -100.72 156.48 17.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.262 0.553 . . . . 0.32 111.732 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.531 HD13 HD12 ' A' ' 101' ' ' ILE . 38.7 mm -56.59 -27.88 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.3 -0.864 . . . . 0.24 110.015 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.44 -37.57 87.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.979 -0.555 . . . . 0.71 109.741 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.528 ' HG2' ' OG1' ' A' ' 97' ' ' THR . 29.8 mm-40 -66.34 -38.46 87.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.7 109.98 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.531 HD12 HD13 ' A' ' 98' ' ' ILE . 43.1 mt -64.08 -45.28 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.828 -0.624 . . . . 0.21 110.134 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.554 ' HG3' HD12 ' A' ' 117' ' ' ILE . 2.4 mptm? -61.16 -53.54 55.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.368 -0.833 . . . . 0.94 111.337 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.54 -20.47 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.203 0.525 . . . . 0.83 110.474 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.657 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 5.9 t60 -77.26 -40.28 45.22 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.688 -0.856 . . . . 1.21 108.688 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 101' ' ' ILE . 53.5 mt -73.25 -38.08 66.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.18 110.434 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 102' ' ' LYS . 80.7 mt -57.87 -47.47 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 0.17 110.28 173.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.0 p -72.67 -23.6 60.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 0.61 111.956 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 10.3 pt-20 -99.9 20.51 14.16 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.011 0.434 . . . . 0.42 111.096 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 55.92 46.39 22.15 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.45 -0.795 . . . . 1.86 111.909 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 39.9 mmtm -110.26 -7.4 14.85 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.832 -0.622 . . . . 1.22 110.338 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.63 -174.75 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.29 111.783 -174.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.6 t -108.91 -66.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.814 -0.63 . . . . 1.23 110.56 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -126.32 169.68 12.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.631 -0.259 . . . . 1.47 110.608 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 102' ' ' LYS . 36.2 pt -61.6 -41.33 89.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.255 0.55 . . . . 0.26 111.052 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 114' ' ' ILE . 11.6 p -76.56 -17.01 59.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.417 0.525 . . . . 1.5 112.417 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -82.2 7.09 14.57 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.598 0.713 . . . . 0.8 110.098 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.554 HD12 ' HG3' ' A' ' 102' ' ' LYS . 69.4 mt -119.18 110.29 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 114.308 -1.314 . . . . 0.26 108.797 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.519 ' HA ' ' HE3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -98.63 113.14 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.235 -0.654 . . . . 1.01 109.235 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 144' ' ' ILE . 17.5 mt -101.27 126.81 48.04 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.847 -0.427 . . . . 0.73 109.847 175.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 mp -129.82 138.0 50.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 0.23 110.082 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.6 tp -114.7 100.71 8.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 1.36 110.018 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 56.02 41.64 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.486 -0.779 . . . . 2.47 110.854 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.0 -14.32 64.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.95 -0.643 . . . . 0.47 112.739 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -83.92 115.98 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.681 -0.305 . . . . 1.94 110.541 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.91 110.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.016 -0.538 . . . . 0.3 110.464 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.592 HD22 HD22 ' A' ' 135' ' ' LEU . 46.7 mt -83.98 135.76 34.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.321 -0.622 . . . . 0.31 109.321 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -84.25 161.63 20.43 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.918 -0.313 . . . . 1.67 110.994 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -47.47 -47.04 27.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.772 0.67 . . . . 0.45 112.427 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -116.11 28.69 8.44 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.571 0.952 . . . . 1.91 113.571 -174.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.21 141.2 58.14 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.205 -0.309 . . . . 0.39 110.541 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.528 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.0 m-85 -81.29 142.28 33.26 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.673 0.273 . . . . 0.47 110.794 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.21 -15.76 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 0.28 111.765 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.0 p -70.6 -22.92 62.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.058 0.456 . . . . 1.25 110.436 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -91.17 -22.8 20.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.791 -0.64 . . . . 1.93 109.822 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.592 HD22 HD22 ' A' ' 126' ' ' LEU . 34.1 mt -83.4 -53.79 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.372 -0.831 . . . . 0.42 110.486 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 58.75 70.08 0.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.544 -0.753 . . . . 2.87 111.06 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.1 t -80.45 102.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.48 110.223 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.5 p -84.3 160.28 57.41 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.626 -0.715 . . . . 0.88 111.175 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -46.27 -48.15 13.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.274 2.65 . . . . 0.93 113.953 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.23 -17.62 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 0.89 111.692 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.54 27.68 9.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 1.1 110.041 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.406 ' O ' HG12 ' A' ' 144' ' ' ILE . 29.5 t -73.12 -16.98 61.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.749 -0.66 . . . . 1.23 111.362 -175.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.7 m -69.3 103.21 1.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.345 0.593 . . . . 0.48 111.233 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 119' ' ' LEU . 29.9 mm -106.49 141.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.561 -0.745 . . . . 0.27 109.541 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.1 m -96.15 117.66 31.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.409 -0.589 . . . . 0.21 109.409 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.565 HG22 HG13 ' A' ' 148' ' ' ILE . 11.6 p -116.53 111.69 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.116 0.96 . . . . 0.2 110.943 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 78.3 mtp -97.92 102.15 13.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.214 -0.903 . . . . 1.62 109.3 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.565 HG13 HG22 ' A' ' 146' ' ' VAL . 52.4 mt -120.46 137.86 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 121.044 -0.263 . . . . 0.19 111.051 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.522 ' HD2' ' O ' ' A' ' 148' ' ' ILE . 10.6 mmmm -127.32 107.23 21.39 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.753 -0.832 . . . . 1.18 108.753 172.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.73 167.66 18.76 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.868 2.379 . . . . 0.78 112.733 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -85.9 56.98 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.623 -0.717 . . . . 3.2 110.55 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.79 138.34 58.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 5.57 109.88 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.37 -7.95 50.55 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.372 0.508 . . . . 5.3 112.372 -172.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -73.8 83.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.855 0.359 . . . . 7.87 110.214 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -107.1 -7.23 16.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.198 0.523 . . . . 8.16 110.166 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -118.75 134.87 54.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.765 -0.652 . . . . 9.6 109.518 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -111.92 126.97 55.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.305 -0.407 . . . . 11.32 110.438 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -85.37 61.39 6.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.313 0.578 . . . . 13.83 109.733 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 40.7 t60 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.286 -0.87 . . . . 15.61 109.491 -176.277 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.581 0.229 . . . . 3.72 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.56 87.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.09 0.471 . . . . 1.18 110.612 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -108.38 126.6 53.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.028 -0.533 . . . . 3.06 109.94 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mp -106.59 124.18 49.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.485 -0.325 . . . . 0.54 110.24 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 m -98.72 92.51 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.069 0.462 . . . . 0.26 110.321 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.487 HD23 HD21 ' A' ' 119' ' ' LEU . 6.8 mp -79.47 107.97 12.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.646 -0.706 . . . . 0.72 110.507 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -102.04 120.6 40.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.208 -0.451 . . . . 1.39 110.524 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 146' ' ' VAL . 84.0 tttt -102.41 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 0.4 111.163 -173.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 pt -112.31 40.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 0.64 111.536 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -115.84 -90.81 0.54 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.22 111.39 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -165.19 136.09 3.11 Favored Pre-proline 0 C--N 1.332 -0.177 0 N-CA-C 110.469 -0.197 . . . . 0.6 110.469 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.87 13.71 23.49 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.536 -1.443 . . . . 0.77 112.317 -2.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 73.52 145.68 0.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.282 -0.872 . . . . 1.96 111.504 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.452 ' CE2' ' HD3' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -174.41 -177.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.32 109.843 177.16 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.6 m -142.48 123.5 14.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.909 -0.404 . . . . 1.32 109.909 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.445 HG13 ' HB2' ' A' ' 78' ' ' LEU . 20.6 pt -131.36 145.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.903 0.382 . . . . 0.38 110.852 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.05 118.67 34.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.242 -0.435 . . . . 1.45 109.829 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -129.71 127.02 39.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.319 -0.4 . . . . 2.42 110.627 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.43 146.13 28.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.362 -0.381 . . . . 1.83 110.16 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.494 ' CE2' HG12 ' A' ' 101' ' ' ILE . 57.6 m-85 -147.2 172.84 13.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.854 -0.612 . . . . 0.97 110.269 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.3 m -81.36 141.25 49.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.083 -0.508 . . . . 0.81 109.978 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.25 -16.46 51.18 Favored 'Trans proline' 0 C--O 1.219 -0.428 0 C-N-CA 123.077 2.518 . . . . 0.73 113.687 -175.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -103.89 9.96 36.56 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.653 -0.419 . . . . 0.89 111.337 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' A' ' 100' ' ' GLN . 13.5 t0 -86.62 167.91 14.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.357 -0.609 . . . . 1.37 109.357 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.458 ' OG1' ' HG2' ' A' ' 100' ' ' GLN . 46.9 p -105.75 153.51 21.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.302 0.573 . . . . 0.32 111.689 -176.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.437 HD13 HD12 ' A' ' 101' ' ' ILE . 45.4 mm -59.02 -26.73 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.201 -0.909 . . . . 0.24 110.375 174.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.81 -38.5 82.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.71 109.814 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.512 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 28.2 mm-40 -65.44 -40.47 93.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.863 0.363 . . . . 0.7 110.097 178.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.494 HG12 ' CE2' ' A' ' 92' ' ' PHE . 48.3 mt -64.46 -47.09 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.21 110.381 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 114' ' ' ILE . 92.0 mttt -65.47 -45.9 81.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.607 -0.724 . . . . 0.94 111.454 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -59.5 -27.85 66.51 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.287 0.565 . . . . 0.83 110.289 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 48.3 t-80 -76.14 -42.3 47.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.376 -0.829 . . . . 1.21 109.218 -175.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 117' ' ' ILE . 42.0 mt -63.44 -35.92 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.969 -0.56 . . . . 0.18 110.019 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.497 HD11 ' N ' ' A' ' 114' ' ' ILE . 76.0 mt -63.16 -46.77 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.17 110.3 172.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.8 p -68.54 -16.28 63.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.921 -0.581 . . . . 0.61 111.585 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.9 pt-20 -108.57 19.65 19.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.97 0.415 . . . . 0.42 110.693 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 58.3 35.51 24.94 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.523 -0.762 . . . . 1.86 112.903 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.496 ' HG2' ' HG3' ' A' ' 108' ' ' GLU . 75.8 mmtt -101.13 -10.13 20.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.347 -0.388 . . . . 1.22 110.62 177.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.31 173.02 17.48 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.849 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.5 t -92.74 -64.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 1.23 110.576 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -129.18 168.08 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.945 -0.391 . . . . 1.47 109.945 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.497 ' N ' HD11 ' A' ' 106' ' ' ILE . 30.3 pt -57.76 -42.39 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.436 . . . . 0.26 111.142 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 p -77.88 -9.52 59.1 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.648 0.61 . . . . 1.5 112.648 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -83.03 -2.76 56.15 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.964 0.888 . . . . 0.8 109.087 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.441 HD13 HD12 ' A' ' 105' ' ' LEU . 64.8 mt -106.86 111.36 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 113.825 -1.534 . . . . 0.26 109.159 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 147' ' ' MET . 0.2 OUTLIER -98.01 112.11 24.17 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.32 -0.993 . . . . 1.01 108.32 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.487 HD21 HD23 ' A' ' 78' ' ' LEU . 14.6 mt -104.95 129.62 53.31 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.751 0.31 . . . . 0.73 110.224 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.34 138.7 49.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.971 -0.559 . . . . 0.23 109.845 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.0 tt -113.19 100.33 8.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.495 -0.928 . . . . 1.36 108.495 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 52.3 40.8 29.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.312 -0.858 . . . . 2.47 110.588 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.51 -21.57 43.53 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.653 -0.703 . . . . 0.47 113.053 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -74.71 117.07 16.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.862 0.363 . . . . 1.94 110.969 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.05 119.55 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.723 -0.671 . . . . 0.3 110.947 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.555 HD22 HD22 ' A' ' 135' ' ' LEU . 37.2 mt -96.38 121.43 38.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.434 -0.58 . . . . 0.31 109.434 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -74.58 -177.97 3.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 1.67 111.332 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -60.47 -53.38 58.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.45 112.217 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -115.25 29.28 8.13 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.927 0.714 . . . . 1.91 112.927 -173.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -65.77 132.55 49.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.62 0.248 . . . . 0.39 110.549 178.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.455 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 65.1 m-85 -77.29 142.06 39.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.796 0.331 . . . . 0.47 110.861 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.52 -15.74 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 0.28 111.193 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -70.86 -27.26 63.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.151 0.501 . . . . 1.25 110.293 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.22 -31.15 25.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.333 -0.617 . . . . 1.93 109.333 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.555 HD22 HD22 ' A' ' 126' ' ' LEU . 25.5 mt -75.26 -53.76 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.927 -1.033 . . . . 0.42 110.897 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 60.9 75.18 0.42 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.88 -0.6 . . . . 2.87 110.758 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.89 101.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 0.48 109.505 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 72.1 p -76.35 153.06 83.98 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.15 -0.477 . . . . 0.88 110.451 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.2 -7.77 7.19 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.49 2.794 . . . . 0.93 113.213 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -99.85 -35.06 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.948 0.404 . . . . 0.89 110.575 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -104.07 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 1.1 110.346 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.6 m -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 1.23 110.944 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.5 m -75.22 105.14 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 0.48 110.446 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.432 HG21 HD22 ' A' ' 119' ' ' LEU . 35.0 mm -103.28 131.47 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.75 -0.659 . . . . 0.27 110.093 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.3 m -89.09 115.64 26.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.445 -0.576 . . . . 0.21 109.445 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.622 ' O ' ' HA ' ' A' ' 80' ' ' LYS . 11.8 p -115.22 114.21 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-O 122.2 1.0 . . . . 0.2 110.727 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.475 ' HB2' ' HB3' ' A' ' 118' ' ' LYS . 63.4 mtt -102.24 101.13 11.39 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.283 -0.871 . . . . 1.62 109.256 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.62 HG13 HG22 ' A' ' 146' ' ' VAL . 75.4 mt -115.02 134.75 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.554 . . . . 0.19 110.434 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -126.38 97.28 34.46 Favored Pre-proline 0 C--N 1.316 -0.859 0 N-CA-C 109.349 -0.611 . . . . 1.18 109.349 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.81 153.97 34.32 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.951 2.434 . . . . 0.78 112.211 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -125.62 118.29 25.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.194 -0.457 . . . . 3.2 110.327 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.7 tp -126.21 57.83 1.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.61 0.719 . . . . 5.57 109.786 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -80.9 -13.76 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.371 -0.831 . . . . 5.3 109.766 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -148.95 134.05 18.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.192 -0.913 . . . . 7.87 109.487 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -58.27 126.34 27.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.89 0.376 . . . . 8.16 110.599 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -84.79 -37.79 20.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.621 -0.718 . . . . 9.6 110.803 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -88.0 111.86 21.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.795 -0.446 . . . . 11.32 109.795 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -91.9 170.08 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.029 0.442 . . . . 13.83 110.684 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.454 -0.784 . . . . 15.61 109.651 175.667 . . . . . . . . 0 0 . 1 stop_ save_