data_2lvt_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 2lvt _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 33' ' ' GLN . . . . . 0.524 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.3 mp0 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.813 0.339 . . . . 2.6899999999999999 110.43 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 51.8 t -61.55 97.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.249 -1.019 . . . . 0.29999999999999999 108.249 168.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 p -53.28 -19.95 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.181 0.515 . . . . 2.1400000000000001 111.731 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.627 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 96.2 mmm -76.8 -50.36 13.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 2.52 111.926 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.3 p -116.92 -16.68 10.54 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.74 -0.784 . . . . 0.35999999999999999 112.491 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.42 2.31 60.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.993 -0.623 . . . . 0.41999999999999998 113.393 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -70.33 119.14 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.235 0.518 . . . . 2.6499999999999999 110.413 176.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -99.44 146.47 26.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.564 . . . . 1.1799999999999999 110.949 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HD2' HD21 ' A' ' 47' ' ' LEU . 56.9 m-85 -134.06 147.36 50.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.225 0.536 . . . . 0.81000000000000005 110.713 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 t -71.38 -16.59 62.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.072 -0.967 . . . . 2.2799999999999998 111.293 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.92 119.66 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.134 0.492 . . . . 3.1000000000000001 110.428 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.677 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.077 -0.965 . . . . 1.1299999999999999 112.381 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 m -73.24 -34.79 66.06 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.134 -0.627 . . . . 1.6699999999999999 111.452 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -63.15 -38.13 89.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.744 -0.836 . . . . 1.6100000000000001 108.744 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.6 tm? -57.76 -54.26 48.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.634 -1.167 . . . . 1.8 110.354 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 44' ' ' ALA . 30.0 mm -52.82 -44.07 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.857 -0.61 . . . . 1.54 111.255 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.75 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.377 0.608 . . . . 1.1000000000000001 110.086 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.418 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 25.3 t60 -60.87 -47.33 86.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.199 -0.909 . . . . 0.46000000000000002 111.398 178.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.487 HG11 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -66.32 -29.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 1.0700000000000001 110.719 -175.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -63.34 -24.08 67.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 4.7999999999999998 110.995 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.27 -39.96 94.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 2.4100000000000001 111.401 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.627 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 23.6 m-70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.108 0.48 . . . . 0.63 110.129 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.521 ' HG2' ' HB1' ' A' ' 40' ' ' ALA . 53.4 mt-30 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.978 0.418 . . . . 2.6899999999999999 110.669 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.464 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 51.0 t -59.63 97.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.111 -1.07 . . . . 0.29999999999999999 108.111 168.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -52.96 -18.93 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.223 0.535 . . . . 2.1400000000000001 112.006 -174.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.63 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 23.1 mmt -81.1 -40.05 24.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.359 0.503 . . . . 2.52 112.359 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 19.8 p -121.65 -21.16 6.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 119.457 -0.897 . . . . 0.35999999999999999 112.731 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 2.63 55.37 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.792 -0.718 . . . . 0.41999999999999998 113.703 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -79.81 131.6 35.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.34 0.57 . . . . 2.6499999999999999 110.634 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.521 ' HB1' ' HG2' ' A' ' 33' ' ' GLN . . . -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 1.1799999999999999 111.284 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' HD2' HD22 ' A' ' 47' ' ' LEU . 57.3 m-85 -137.59 166.28 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.645 -0.707 . . . . 0.81000000000000005 110.051 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -85.27 -30.47 23.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 2.2799999999999998 110.169 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -103.75 121.98 44.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.766 -0.652 . . . . 3.1000000000000001 110.289 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.757 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.4 -33.75 72.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.217 -0.901 . . . . 1.1299999999999999 111.939 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 m -77.71 -35.63 51.87 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.578 -0.449 . . . . 1.6699999999999999 112.001 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 p -66.51 -32.89 74.53 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.771 -0.825 . . . . 1.6100000000000001 108.771 173.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.514 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.5 tm? -59.12 -54.36 47.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.843 -1.071 . . . . 1.8 109.268 173.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.757 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.9 mm -55.9 -42.72 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.74 -0.664 . . . . 1.54 111.233 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.02 83.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.304 0.574 . . . . 1.1000000000000001 109.958 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.464 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 15.8 t60 -62.22 -44.32 96.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.956 -1.02 . . . . 0.46000000000000002 111.503 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 48' ' ' ILE . 4.1 p -70.7 -28.81 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.977 0.418 . . . . 1.0700000000000001 110.691 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -64.59 -24.86 67.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.265 -0.425 . . . . 4.7999999999999998 110.825 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -61.67 -42.13 98.49 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.488 -0.324 . . . . 2.4100000000000001 110.637 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.63 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 19.5 m-70 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 121.204 0.526 . . . . 0.63 109.83 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 1.5 mp0 . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 121.11 0.481 . . . . 2.6899999999999999 110.609 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.554 ' HB2' HD13 ' A' ' 47' ' ' LEU . 45.5 t -63.53 93.0 0.07 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.827 -1.175 . . . . 0.29999999999999999 107.827 168.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 t -54.85 -17.96 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.252 0.548 . . . . 2.1400000000000001 111.53 -173.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.3 mmm -77.52 -40.29 43.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 2.52 111.986 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 19.3 p -121.85 -30.81 4.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 119.538 -0.865 . . . . 0.35999999999999999 112.619 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.17 -6.56 21.47 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.898 -0.668 . . . . 0.41999999999999998 113.459 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -60.68 123.99 19.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.054 0.427 . . . . 2.6499999999999999 110.545 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -101.46 128.03 47.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.023 0.44 . . . . 1.1799999999999999 111.17 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.672 ' HD2' HD11 ' A' ' 47' ' ' LEU . 70.3 m-85 -125.43 131.75 52.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.909 -0.587 . . . . 0.81000000000000005 110.33 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -74.67 -19.62 60.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.315 -0.857 . . . . 2.2799999999999998 110.755 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -100.23 117.17 33.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 3.1000000000000001 109.498 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.638 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.08 -44.85 94.61 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.223 -0.899 . . . . 1.1299999999999999 112.229 -172.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.686 ' HA ' HG12 ' A' ' 48' ' ' ILE . 19.4 m -81.92 -20.64 38.3 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.895 -0.722 . . . . 1.6699999999999999 111.51 -172.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -64.66 -41.9 95.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.481 -1.303 . . . . 1.6100000000000001 107.481 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.672 HD11 ' HD2' ' A' ' 41' ' ' PHE . 27.5 tp -64.47 -40.74 96.26 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.709 -1.132 . . . . 1.8 111.165 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.686 HG12 ' HA ' ' A' ' 45' ' ' SER . 38.9 mm -52.8 -45.96 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 1.54 110.674 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.66 97.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.399 0.619 . . . . 1.1000000000000001 109.888 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -60.75 -48.81 80.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.028 -0.987 . . . . 0.46000000000000002 111.259 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' SG ' ' A' ' 34' ' ' CYS . 1.2 p -66.98 -28.07 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.326 . . . . 1.0700000000000001 110.731 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -65.05 -16.79 63.85 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.151 -0.477 . . . . 4.7999999999999998 110.986 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -69.5 -29.58 67.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.342 0.591 . . . . 2.4100000000000001 109.985 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 60.6 m-70 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.363 -0.835 . . . . 0.63 111.408 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.53 ' HG3' ' HB3' ' A' ' 40' ' ' ALA . 1.6 mp0 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 108.864 -0.791 . . . . 2.6899999999999999 108.864 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.544 ' HB2' HD13 ' A' ' 47' ' ' LEU . 8.8 t -64.7 89.34 0.07 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.14 -1.43 . . . . 0.29999999999999999 107.14 167.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.18 -23.32 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.141 0.423 . . . . 2.1400000000000001 112.141 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.864 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 14.3 tpt -76.79 -43.03 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.075 0.398 . . . . 2.52 112.075 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.646 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.5 p -111.84 -20.6 11.98 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 119.405 -0.918 . . . . 0.35999999999999999 111.703 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.23 -14.61 58.23 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.242 -0.504 . . . . 0.41999999999999998 113.456 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -74.06 132.63 42.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.418 0.609 . . . . 2.6499999999999999 110.741 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.53 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . . . -107.67 130.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.32 -0.4 . . . . 1.1799999999999999 111.481 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.699 ' HD2' HD11 ' A' ' 47' ' ' LEU . 35.2 m-85 -101.35 158.88 15.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.192 0.52 . . . . 0.81000000000000005 110.331 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -79.75 -19.88 47.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 2.2799999999999998 109.987 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -115.85 118.26 32.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 3.1000000000000001 110.185 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.68 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -64.24 -39.76 94.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.108 -0.951 . . . . 1.1299999999999999 111.979 -172.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -77.06 -31.45 56.12 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.177 -0.609 . . . . 1.6699999999999999 111.261 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.5 m -61.45 -40.35 94.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.307 -0.997 . . . . 1.6100000000000001 108.307 171.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' A' ' 41' ' ' PHE . 52.6 tp -62.35 -42.4 99.37 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.821 -1.081 . . . . 1.8 111.872 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 44' ' ' ALA . 34.2 mm -56.84 -43.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 1.54 110.487 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.59 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.46 0.648 . . . . 1.1000000000000001 109.689 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.475 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 50.7 t60 -63.69 -47.32 81.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.46000000000000002 111.638 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.8 p -67.22 -28.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.72 0.295 . . . . 1.0700000000000001 110.607 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -59.48 -30.84 68.83 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.985 -0.552 . . . . 4.7999999999999998 110.36 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.803 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -63.36 -30.86 71.92 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.957 -0.565 . . . . 2.4100000000000001 111.143 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.864 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 71.2 m-70 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 0.63 110.065 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.705 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.6 pt20 . . . . . 0 N--CA 1.448 -0.559 0 N-CA-C 109.77 -0.456 . . . . 2.6899999999999999 109.77 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' HB2' HD13 ' A' ' 47' ' ' LEU . 42.1 t -57.36 104.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.844 . . . . 0.29999999999999999 109.034 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -54.35 -25.14 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 2.1400000000000001 111.44 -175.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.51 -43.1 40.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.63 . . . . 2.52 112.46 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.614 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 22.7 p -120.92 -10.74 9.05 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 119.54 -0.864 . . . . 0.35999999999999999 112.758 -174.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 6.46 74.03 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.808 -0.711 . . . . 0.41999999999999998 113.366 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.7 mptm? -85.53 119.66 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.078 0.439 . . . . 2.6499999999999999 110.499 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.705 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -100.57 159.31 15.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 1.1799999999999999 111.255 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HD2' HD11 ' A' ' 47' ' ' LEU . 69.6 m-85 -138.37 162.57 34.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.688 -0.687 . . . . 0.81000000000000005 109.721 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -69.6 -16.58 63.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 2.2799999999999998 111.622 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -134.54 125.58 27.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 3.1000000000000001 110.398 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.692 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.38 -38.29 83.46 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.025 -0.989 . . . . 1.1299999999999999 112.46 -175.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.447 ' HA ' HG12 ' A' ' 48' ' ' ILE . 4.4 p -74.29 -33.37 63.21 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.304 -0.558 . . . . 1.6699999999999999 111.847 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -62.8 -38.0 88.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.881 -0.785 . . . . 1.6100000000000001 108.881 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.523 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 56.5 tp -62.56 -40.18 96.03 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.72 -1.127 . . . . 1.8 111.44 177.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.692 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.0 mm -53.38 -40.33 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.224 -0.444 . . . . 1.54 110.793 -177.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 96.0 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.292 0.568 . . . . 1.1000000000000001 109.801 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -59.57 -51.49 69.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.46000000000000002 111.023 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.497 HG11 ' HA ' ' A' ' 48' ' ' ILE . 4.5 p -65.46 -27.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 1.0700000000000001 111.0 -174.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -68.22 -18.66 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 4.7999999999999998 111.011 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.27 -31.03 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.344 . . . . 2.4100000000000001 111.529 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.462 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m-70 . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 121.374 0.607 . . . . 0.63 109.996 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 110.127 -0.323 . . . . 2.6899999999999999 110.127 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' N ' HD21 ' A' ' 47' ' ' LEU . 53.6 t -64.36 93.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.735 -1.209 . . . . 0.29999999999999999 107.735 169.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.3 -15.88 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.2 0.524 . . . . 2.1400000000000001 111.719 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.0 mmm -77.97 -47.97 17.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.12 -0.491 . . . . 2.52 111.757 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.773 ' SG ' ' HG2' ' A' ' 39' ' ' LYS . 17.2 p -122.63 -9.23 8.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.039 0.755 . . . . 0.35999999999999999 113.039 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.99 -4.82 61.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 114.759 0.664 . . . . 0.41999999999999998 114.759 173.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.773 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 73.0 mmtt -63.62 126.76 28.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.991 0.895 . . . . 2.6499999999999999 110.768 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.94 133.44 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 1.1799999999999999 110.959 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' HD2' HD23 ' A' ' 47' ' ' LEU . 71.2 m-85 -130.62 136.78 49.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.81000000000000005 110.441 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 p -64.56 -31.45 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.357 -0.838 . . . . 2.2799999999999998 111.366 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -95.42 119.09 33.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.993 -0.549 . . . . 3.1000000000000001 109.818 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.746 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.71 -34.25 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 1.1299999999999999 111.469 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 t -75.38 -35.64 61.05 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.543 -0.463 . . . . 1.6699999999999999 111.263 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -62.35 -38.49 89.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.804 -0.813 . . . . 1.6100000000000001 108.804 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.516 HD23 ' HD2' ' A' ' 41' ' ' PHE . 1.4 tm? -57.69 -55.4 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.308 -1.314 . . . . 1.8 110.025 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.746 HG12 ' O ' ' A' ' 44' ' ' ALA . 33.3 mm -53.87 -43.53 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 1.54 111.149 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.73 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.22 0.534 . . . . 1.1000000000000001 109.935 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -60.2 -49.49 77.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.915 -1.039 . . . . 0.46000000000000002 111.026 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.485 HG11 ' HA ' ' A' ' 48' ' ' ILE . 2.9 p -66.13 -28.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 1.0700000000000001 110.828 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.63 -24.48 66.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.03 -0.532 . . . . 4.7999999999999998 111.174 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -61.69 -40.62 95.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.937 0.399 . . . . 2.4100000000000001 110.916 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.433 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 28.7 m-70 . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.2 0.524 . . . . 0.63 110.095 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 121.045 0.45 . . . . 2.6899999999999999 111.285 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 51' ' ' VAL . 54.1 t -65.47 92.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.837 -1.172 . . . . 0.29999999999999999 107.837 166.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 t -51.44 -21.88 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.152 0.501 . . . . 2.1400000000000001 111.612 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmt -70.18 -49.0 54.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.44 0.533 . . . . 2.52 112.44 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 19.4 p -121.35 -18.08 7.43 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 119.555 -0.858 . . . . 0.35999999999999999 112.597 -174.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.8 0.27 55.21 Favored Glycine 0 C--O 1.229 -0.198 0 C-N-CA 120.902 -0.666 . . . . 0.41999999999999998 113.379 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 27.9 tptt -60.84 119.61 8.56 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 117.152 0.476 . . . . 2.6499999999999999 110.266 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.28 130.27 53.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.912 0.387 . . . . 1.1799999999999999 111.598 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.09 142.92 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.673 -0.694 . . . . 0.81000000000000005 109.409 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.0 p -82.64 -5.34 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.449 . . . . 2.2799999999999998 110.711 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -111.05 118.73 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.716 -0.675 . . . . 3.1000000000000001 109.771 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.696 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.88 -35.37 79.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.311 -0.859 . . . . 1.1299999999999999 112.193 -171.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.1 p -77.1 -37.64 53.89 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.471 -0.492 . . . . 1.6699999999999999 112.057 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 m -60.44 -38.57 84.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.625 -0.88 . . . . 1.6100000000000001 108.625 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.1 tm? -57.27 -57.6 11.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.289 -1.323 . . . . 1.8 110.272 176.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.696 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.1 mm -54.78 -42.26 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 1.54 111.098 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.19 82.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 1.1000000000000001 109.863 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.07 -42.61 99.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.927 -1.033 . . . . 0.46000000000000002 111.556 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.458 HG23 ' SG ' ' A' ' 34' ' ' CYS . 3.7 p -72.28 -28.89 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.727 -0.215 . . . . 1.0700000000000001 110.556 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -65.4 -21.24 66.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.38 -0.373 . . . . 4.7999999999999998 110.786 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -61.19 -38.8 87.85 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.155 0.502 . . . . 2.4100000000000001 110.272 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.413 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 34.3 m-70 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.63 109.682 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.549 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 2.2 mp0 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.661 0.267 . . . . 2.6899999999999999 111.116 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.568 ' HB2' HD11 ' A' ' 47' ' ' LEU . 42.7 t -57.33 106.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.069 -1.086 . . . . 0.29999999999999999 108.069 168.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 t -51.84 -25.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 123.659 0.599 . . . . 2.1400000000000001 111.9 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.3 mmm -85.1 -45.78 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.898 0.703 . . . . 2.52 112.898 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.4 p -116.81 -6.68 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.575 -0.85 . . . . 0.35999999999999999 112.635 -171.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.58 85.87 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.538 -0.839 . . . . 0.41999999999999998 114.126 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.63 127.86 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.369 0.584 . . . . 2.6499999999999999 110.662 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -103.51 154.99 18.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.992 0.425 . . . . 1.1799999999999999 111.713 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.613 ' HD2' HD12 ' A' ' 47' ' ' LEU . 58.7 m-85 -138.31 152.7 48.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.627 -0.715 . . . . 0.81000000000000005 109.785 174.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -72.0 -13.26 61.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.643 -0.708 . . . . 2.2799999999999998 111.274 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -128.41 119.61 25.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.819 -0.628 . . . . 3.1000000000000001 109.857 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.703 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -38.12 82.53 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.328 -0.851 . . . . 1.1299999999999999 111.778 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.519 ' HA ' HG12 ' A' ' 48' ' ' ILE . 27.9 p -73.5 -36.18 65.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.466 -0.493 . . . . 1.6699999999999999 111.87 -175.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 m -61.98 -36.57 81.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.575 -0.898 . . . . 1.6100000000000001 108.575 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.613 HD12 ' HD2' ' A' ' 41' ' ' PHE . 61.6 tp -64.0 -37.27 86.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.059 -0.973 . . . . 1.8 111.272 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.703 HG12 ' O ' ' A' ' 44' ' ' ALA . 38.5 mm -57.28 -40.98 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 1.54 110.541 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.36 89.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 1.1000000000000001 109.426 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -57.04 -53.37 58.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.98 -1.009 . . . . 0.46000000000000002 110.946 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.506 HG22 ' SG ' ' A' ' 34' ' ' CYS . 2.9 p -66.57 -26.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 1.0700000000000001 111.266 -173.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -63.61 -18.12 63.59 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.133 -0.485 . . . . 4.7999999999999998 111.207 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.35 -49.19 74.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 2.4100000000000001 110.879 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 38.9 m-70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.617 -0.719 . . . . 0.63 110.239 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 120.837 0.351 . . . . 2.6899999999999999 110.613 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.517 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 37.6 t -67.35 93.54 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.857 -1.164 . . . . 0.29999999999999999 107.857 168.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.9 t -47.48 -28.58 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.551 0.532 . . . . 2.1400000000000001 112.008 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.541 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -78.66 -35.92 44.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.156 0.799 . . . . 2.52 113.156 -176.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.665 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 18.0 p -120.39 -23.01 6.28 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.46 -0.896 . . . . 0.35999999999999999 112.361 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.49 0.19 59.52 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.161 -0.542 . . . . 0.41999999999999998 113.591 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -78.16 127.89 32.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.388 0.594 . . . . 2.6499999999999999 109.709 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.78 135.6 48.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.546 -0.297 . . . . 1.1799999999999999 111.208 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -113.83 156.2 24.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.172 -0.467 . . . . 0.81000000000000005 110.381 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -72.85 -25.84 61.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.315 -0.857 . . . . 2.2799999999999998 111.491 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -108.3 118.43 36.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.309 0.576 . . . . 3.1000000000000001 110.281 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.748 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -35.41 75.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.101 -0.954 . . . . 1.1299999999999999 112.091 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -76.06 -34.85 59.61 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.447 0.536 . . . . 1.6699999999999999 112.447 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -70.22 -31.43 68.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.75 -0.833 . . . . 1.6100000000000001 108.75 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.556 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.9 tm? -58.63 -52.55 65.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.332 -1.304 . . . . 1.8 110.106 173.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.748 HG12 ' O ' ' A' ' 44' ' ' ALA . 36.4 mm -52.22 -43.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.82 -0.627 . . . . 1.54 111.433 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.17 99.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.562 0.696 . . . . 1.1000000000000001 109.914 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.517 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 22.0 t60 -65.45 -43.53 90.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.689 -1.141 . . . . 0.46000000000000002 111.45 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.2 p -68.37 -27.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.291 . . . . 1.0700000000000001 110.738 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -63.19 -19.43 64.5 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.105 0.479 . . . . 4.7999999999999998 111.302 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -75.09 -31.85 61.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.154 -0.475 . . . . 2.4100000000000001 110.959 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.665 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 50.9 m-70 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.8 -0.637 . . . . 0.63 111.083 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.494 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 12.3 mp0 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.977 0.418 . . . . 2.6899999999999999 110.617 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.455 ' SG ' HG21 ' A' ' 51' ' ' VAL . 36.4 t -67.06 93.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.813 -1.18 . . . . 0.29999999999999999 107.813 170.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.73 -12.27 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 2.1400000000000001 111.705 -172.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -77.55 -44.44 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.464 -0.334 . . . . 2.52 111.616 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.636 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 17.6 p -120.46 -4.77 9.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 119.543 -0.863 . . . . 0.35999999999999999 112.507 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.41 8.87 85.68 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.224 -0.512 . . . . 0.41999999999999998 113.75 174.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.636 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.6 mptm? -83.6 130.71 34.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.287 0.543 . . . . 2.6499999999999999 110.548 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB1' ' HG3' ' A' ' 33' ' ' GLN . . . -101.36 149.58 23.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 1.1799999999999999 111.238 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.505 ' HD2' HD23 ' A' ' 47' ' ' LEU . 48.6 m-85 -132.39 163.68 28.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.521 . . . . 0.81000000000000005 110.115 175.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -93.39 3.49 55.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.012 -0.54 . . . . 2.2799999999999998 111.295 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.404 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 52.1 mt-30 -135.64 121.94 20.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.009 -0.542 . . . . 3.1000000000000001 109.858 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.64 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -56.76 -38.61 72.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.305 -0.861 . . . . 1.1299999999999999 111.964 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.652 ' HA ' HD12 ' A' ' 48' ' ' ILE . 14.0 m -78.54 -34.65 46.98 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.349 -0.54 . . . . 1.6699999999999999 112.255 -173.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.404 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 42.0 p -66.42 -33.35 75.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.548 -0.908 . . . . 1.6100000000000001 108.548 175.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.505 HD23 ' HD2' ' A' ' 41' ' ' PHE . 1.2 tm? -58.65 -55.29 37.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.636 -1.166 . . . . 1.8 109.653 173.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 45' ' ' SER . 46.7 mt -53.9 -43.4 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.53 -0.759 . . . . 1.54 111.28 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.77 86.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.338 0.589 . . . . 1.1000000000000001 110.24 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.06 -40.83 97.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.026 -0.988 . . . . 0.46000000000000002 111.644 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 48' ' ' ILE . 2.1 p -71.44 -27.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.796 0.331 . . . . 1.0700000000000001 110.74 -174.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -59.94 -23.65 63.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.03 -0.532 . . . . 4.7999999999999998 110.983 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.81 -25.1 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 2.4100000000000001 110.78 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 50.3 m-70 . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.496 -0.775 . . . . 0.63 110.462 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' C ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.721 0.296 . . . . 2.6899999999999999 110.386 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.52 ' HB2' HD13 ' A' ' 47' ' ' LEU . 47.5 t -63.26 92.25 0.06 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.29999999999999999 109.285 175.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.97 -13.87 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.808 0.337 . . . . 2.1400000000000001 111.774 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.7 -46.05 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 2.52 111.767 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 p -121.27 -29.37 4.51 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.744 -0.783 . . . . 0.35999999999999999 112.151 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.33 -2.1 25.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.41999999999999998 112.977 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.68 138.82 50.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.213 0.507 . . . . 2.6499999999999999 110.447 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.1 122.95 39.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.94 0.4 . . . . 1.1799999999999999 111.552 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 67.5 m-85 -107.24 137.27 45.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 0.81000000000000005 109.584 175.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -69.29 -21.52 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 2.2799999999999998 111.057 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -98.99 119.12 37.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.387 0.613 . . . . 3.1000000000000001 109.716 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.35 -42.14 81.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.784 -1.098 . . . . 1.1299999999999999 112.682 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.701 ' HA ' HD13 ' A' ' 48' ' ' ILE . 18.1 m -77.62 -29.41 51.82 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.033 -0.667 . . . . 1.6699999999999999 112.206 -172.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -58.96 -41.03 86.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.109 -1.071 . . . . 1.6100000000000001 108.109 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 34' ' ' CYS . 30.8 tp -66.01 -44.41 84.86 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.59 -1.186 . . . . 1.8 111.379 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 45' ' ' SER . 49.6 mt -55.35 -43.88 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.132 0.491 . . . . 1.54 110.388 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.9 98.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.546 0.688 . . . . 1.1000000000000001 109.785 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -64.11 -42.73 96.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.606 -1.179 . . . . 0.46000000000000002 111.966 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 HG11 ' O ' ' A' ' 48' ' ' ILE . 4.0 p -69.01 -28.59 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.794 0.331 . . . . 1.0700000000000001 110.516 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -72.87 -16.49 61.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.039 -0.528 . . . . 4.7999999999999998 110.842 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 2.4100000000000001 110.018 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 73.0 m-70 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.219 -0.9 . . . . 0.63 110.766 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.544 ' HG3' ' HB3' ' A' ' 40' ' ' ALA . 26.3 mp0 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.096 0.474 . . . . 2.6899999999999999 111.574 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 47' ' ' LEU . 43.1 t -61.62 94.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.287 -1.005 . . . . 0.29999999999999999 108.287 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -53.99 -20.48 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.033 0.444 . . . . 2.1400000000000001 111.714 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.9 mmm -73.85 -40.96 62.89 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.201 -0.454 . . . . 2.52 112.078 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 21.3 p -121.29 -30.06 4.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.546 -0.862 . . . . 0.35999999999999999 112.793 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.25 -4.96 25.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.489 -0.862 . . . . 0.41999999999999998 113.4 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -80.77 133.64 35.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.218 0.509 . . . . 2.6499999999999999 110.692 -179.219 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . . . -103.69 144.25 31.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 1.1799999999999999 112.58 -171.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 34.9 m-85 -130.32 142.89 50.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.349 -0.841 . . . . 0.81000000000000005 109.533 171.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.6 p -73.82 -25.77 60.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 2.2799999999999998 110.842 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -102.5 120.61 40.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 3.1000000000000001 109.836 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.682 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.1 -42.51 98.64 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.04 -0.982 . . . . 1.1299999999999999 112.264 -175.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.64 ' HA ' HG12 ' A' ' 48' ' ' ILE . 16.4 m -77.13 -29.16 54.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.037 -0.665 . . . . 1.6699999999999999 111.731 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -61.05 -40.39 93.46 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 1.6100000000000001 108.297 171.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' CYS . 36.7 tp -64.24 -38.48 91.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.998 -1.001 . . . . 1.8 110.889 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.682 HG12 ' O ' ' A' ' 44' ' ' ALA . 41.3 mm -55.52 -43.79 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.911 0.386 . . . . 1.54 110.835 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.78 96.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.482 0.658 . . . . 1.1000000000000001 109.889 177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.68 -44.78 92.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.03 -0.986 . . . . 0.46000000000000002 111.29 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.534 HG21 ' SG ' ' A' ' 34' ' ' CYS . 1.3 p -70.59 -27.54 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.8 0.333 . . . . 1.0700000000000001 110.515 -177.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -61.32 -26.9 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.301 -0.409 . . . . 4.7999999999999998 110.97 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -61.3 -31.78 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.272 0.558 . . . . 2.4100000000000001 110.716 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 69.4 m-70 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.258 -0.883 . . . . 0.63 110.315 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' N ' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.369 -0.604 . . . . 2.6899999999999999 109.369 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.468 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 24.0 t -63.44 94.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.17 -0.678 . . . . 0.29999999999999999 109.17 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.2 t -49.17 -30.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 123.409 0.443 . . . . 2.1400000000000001 111.945 -176.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.44 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -74.09 -40.55 62.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.043 0.757 . . . . 2.52 113.043 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.5 p -120.66 -7.14 9.65 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.319 -0.952 . . . . 0.35999999999999999 112.253 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.54 -5.97 83.47 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.348 -0.453 . . . . 0.41999999999999998 114.143 174.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 13.1 mptt -85.16 135.81 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.368 0.584 . . . . 2.6499999999999999 110.414 -176.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.59 155.0 28.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.066 0.46 . . . . 1.1799999999999999 111.676 -174.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -126.85 174.3 8.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.81000000000000005 109.993 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 t -79.11 -31.43 44.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.4 . . . . 2.2799999999999998 111.028 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.467 ' HB3' ' OG ' ' A' ' 46' ' ' SER . 8.7 tp-100 -105.71 123.92 48.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.532 0.682 . . . . 3.1000000000000001 110.904 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.593 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.86 -38.72 76.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.919 -1.037 . . . . 1.1299999999999999 112.137 -177.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.508 ' HA ' HD11 ' A' ' 48' ' ' ILE . 28.1 m -78.21 -33.6 49.86 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.267 -0.573 . . . . 1.6699999999999999 112.359 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.467 ' OG ' ' HB3' ' A' ' 43' ' ' GLN . 10.5 p -67.73 -33.99 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.617 -0.883 . . . . 1.6100000000000001 108.617 174.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.7 tm? -57.24 -56.34 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.575 -1.193 . . . . 1.8 109.87 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 44' ' ' ALA . 36.3 mt -55.56 -41.25 63.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.715 -0.675 . . . . 1.54 111.183 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.8 93.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.563 0.697 . . . . 1.1000000000000001 109.806 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.468 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 22.5 t60 -64.7 -42.8 95.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.802 -1.09 . . . . 0.46000000000000002 111.432 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 48' ' ' ILE . 5.2 p -69.54 -28.65 38.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 1.0700000000000001 110.635 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -68.71 -22.76 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 4.7999999999999998 110.474 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.827 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -63.72 -35.19 79.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.222 -0.444 . . . . 2.4100000000000001 110.715 175.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.531 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 44.2 m-70 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.042 -0.526 . . . . 0.63 110.037 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 18.2 mp0 . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.123 -0.695 . . . . 2.6899999999999999 109.123 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 15.9 t -71.49 89.94 0.97 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.432 -1.321 . . . . 0.29999999999999999 107.432 167.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -50.43 -26.77 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 2.1400000000000001 111.735 -172.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -77.15 -31.7 55.75 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.897 0.703 . . . . 2.52 112.897 -176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.66 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.9 p -121.3 -28.41 4.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.362 -0.935 . . . . 0.35999999999999999 112.166 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.14 -15.28 28.13 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.978 -0.63 . . . . 0.41999999999999998 113.211 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.9 132.73 39.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.019 0.409 . . . . 2.6499999999999999 110.619 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.508 ' HB1' ' HG3' ' A' ' 33' ' ' GLN . . . -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.269 -0.423 . . . . 1.1799999999999999 111.096 -176.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.425 ' HE2' ' CG ' ' A' ' 50' ' ' HIS . 70.4 m-85 -110.24 170.47 8.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.706 -0.479 . . . . 0.81000000000000005 109.706 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.551 HG22 ' HG2' ' A' ' 43' ' ' GLN . 9.3 t -75.82 -39.7 56.28 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.012 -0.275 . . . . 2.2799999999999998 111.25 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.551 ' HG2' HG22 ' A' ' 42' ' ' THR . 30.8 mm-40 -101.46 127.58 48.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 3.1000000000000001 110.717 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.671 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -56.95 -40.89 77.3 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 114.675 -1.148 . . . . 1.1299999999999999 113.33 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.3 m -79.13 -29.14 43.0 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.114 -0.634 . . . . 1.6699999999999999 111.467 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.459 ' HG ' ' HB2' ' A' ' 43' ' ' GLN . 7.7 m -59.2 -43.38 92.25 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.172 -1.047 . . . . 1.6100000000000001 108.172 171.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.5 tm? -56.68 -55.92 27.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.016 -1.447 . . . . 1.8 110.42 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.1 mm -52.6 -44.59 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 1.54 111.469 -178.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.44 94.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.493 0.663 . . . . 1.1000000000000001 110.318 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.475 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 26.1 t60 -64.56 -42.14 95.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.098 -0.956 . . . . 0.46000000000000002 111.374 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -67.05 -27.96 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 1.0700000000000001 110.752 -175.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 5.2 tmm_? -59.39 -28.85 67.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 4.7999999999999998 110.149 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.626 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -62.04 -36.2 80.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.183 -0.462 . . . . 2.4100000000000001 111.405 179.407 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.66 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 49.6 m-70 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.63 109.978 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 121.312 0.577 . . . . 2.6899999999999999 111.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 20.1 t -69.86 90.1 0.6 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.006 -1.109 . . . . 0.29999999999999999 108.006 167.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 t -47.96 -30.22 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.03 0.443 . . . . 2.1400000000000001 112.024 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 36' ' ' MET . 1.2 mpt? -69.08 -40.1 78.65 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.472 0.545 . . . . 2.52 112.472 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 18.6 p -120.2 -22.04 6.75 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.472 -0.891 . . . . 0.35999999999999999 112.148 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.1 -7.27 56.84 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.414 -0.422 . . . . 0.41999999999999998 113.203 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.51 128.97 36.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.9 0.35 . . . . 2.6499999999999999 111.118 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.0 133.82 54.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 1.1799999999999999 110.037 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -106.49 173.64 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.214 -0.194 . . . . 0.81000000000000005 111.209 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.0 m -70.34 -40.65 74.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.117 0.485 . . . . 2.2799999999999998 110.668 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -101.1 119.99 39.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 3.1000000000000001 110.507 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.706 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -57.91 -40.64 80.85 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.084 -0.962 . . . . 1.1299999999999999 112.063 -176.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 p -74.83 -33.24 62.14 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.599 -0.441 . . . . 1.6699999999999999 111.234 -176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -38.85 88.79 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.609 -0.886 . . . . 1.6100000000000001 108.609 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.505 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.4 tm? -58.52 -54.1 50.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.712 -1.131 . . . . 1.8 109.949 174.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.706 HG12 ' O ' ' A' ' 44' ' ' ALA . 25.1 mm -52.78 -43.94 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 1.54 111.118 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.396 0.617 . . . . 1.1000000000000001 110.342 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.431 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 30.0 t60 -65.08 -42.14 94.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.983 -1.008 . . . . 0.46000000000000002 111.549 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.551 HG11 ' O ' ' A' ' 48' ' ' ILE . 7.9 p -66.85 -28.46 43.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.006 0.431 . . . . 1.0700000000000001 110.434 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' O ' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.7 -19.65 65.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.692 -0.685 . . . . 4.7999999999999998 110.856 179.219 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -71.68 -37.92 70.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.263 -0.426 . . . . 2.4100000000000001 110.874 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 38.9 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.63 110.556 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.551 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 11.7 pt20 . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.919 -0.771 . . . . 2.6899999999999999 108.919 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 51' ' ' VAL . 53.1 t -60.14 106.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.934 -0.575 . . . . 0.29999999999999999 109.816 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.44 -19.53 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.272 -0.422 . . . . 2.1400000000000001 111.582 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.408 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 15.2 tpt -85.5 -41.23 15.52 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.47 0.544 . . . . 2.52 112.47 -176.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.2 p -120.26 -1.34 10.28 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.406 -0.918 . . . . 0.35999999999999999 112.275 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.17 15.25 81.76 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.309 -0.472 . . . . 0.41999999999999998 114.101 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -100.87 130.81 46.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.367 0.584 . . . . 2.6499999999999999 110.881 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 33' ' ' GLN . . . -103.58 162.64 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 1.1799999999999999 111.352 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.591 ' HD2' HD23 ' A' ' 47' ' ' LEU . 82.6 m-85 -135.6 151.14 49.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.837 -0.62 . . . . 0.81000000000000005 109.895 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -73.07 -19.62 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 2.2799999999999998 111.001 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -114.68 121.1 42.34 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.236 0.541 . . . . 3.1000000000000001 109.717 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.694 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -52.86 -34.98 56.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.867 -1.06 . . . . 1.1299999999999999 112.191 -177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -76.52 -36.98 57.43 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.634 -0.427 . . . . 1.6699999999999999 111.617 -175.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 m -60.03 -38.8 83.76 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.931 -0.766 . . . . 1.6100000000000001 108.931 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 41' ' ' PHE . 1.3 tm? -56.44 -57.48 12.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.379 -1.282 . . . . 1.8 109.876 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.694 HG12 ' O ' ' A' ' 44' ' ' ALA . 26.8 mm -57.71 -40.94 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.73 . . . . 1.54 110.866 -177.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.02 88.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.405 0.622 . . . . 1.1000000000000001 110.022 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -65.67 -40.7 92.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.953 -1.021 . . . . 0.46000000000000002 111.697 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 48' ' ' ILE . 5.7 p -71.5 -29.27 34.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.889 -0.324 . . . . 1.0700000000000001 110.747 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -69.02 -16.52 63.74 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 120.72 0.295 . . . . 4.7999999999999998 111.051 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.76 -39.0 80.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 2.4100000000000001 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 36.9 m-70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.6 . . . . 0.63 109.978 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' HG3' ' HB3' ' A' ' 40' ' ' ALA . 27.0 mp0 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.888 0.375 . . . . 2.6899999999999999 111.499 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' HB2' HD11 ' A' ' 47' ' ' LEU . 33.9 t -61.2 102.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.849 -1.167 . . . . 0.29999999999999999 107.849 167.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.5 -13.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 112.554 0.575 . . . . 2.1400000000000001 112.554 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.423 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 26.3 mmt -94.88 -36.28 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.539 0.57 . . . . 2.52 112.539 -175.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.634 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.4 p -121.63 -16.55 7.71 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.642 -0.823 . . . . 0.35999999999999999 112.348 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -20.03 45.21 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.608 -0.806 . . . . 0.41999999999999998 113.777 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 71.8 mmtt -56.81 120.78 8.45 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 117.122 0.461 . . . . 2.6499999999999999 111.576 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . . . -105.12 133.14 50.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.97 -0.559 . . . . 1.1799999999999999 111.0 -177.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.609 ' HD2' HD12 ' A' ' 47' ' ' LEU . 86.4 m-85 -117.92 158.46 24.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.81000000000000005 110.147 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -77.03 -29.29 55.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.883 -0.599 . . . . 2.2799999999999998 110.498 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -108.01 115.79 30.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.835 -0.62 . . . . 3.1000000000000001 109.481 175.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.719 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.81 -27.33 69.1 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.445 -0.798 . . . . 1.1299999999999999 111.437 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -73.88 -38.9 64.27 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.698 -0.401 . . . . 1.6699999999999999 111.449 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 m -62.88 -37.06 85.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.56 -0.904 . . . . 1.6100000000000001 108.56 174.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.609 HD12 ' HD2' ' A' ' 41' ' ' PHE . 53.7 tp -61.86 -39.03 90.47 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.431 -1.259 . . . . 1.8 111.76 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.719 HG12 ' O ' ' A' ' 44' ' ' ALA . 27.1 mm -55.47 -44.1 74.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.762 0.315 . . . . 1.54 111.024 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.12 96.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.558 0.694 . . . . 1.1000000000000001 109.57 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.415 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 15.4 t60 -60.28 -46.2 90.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.712 -1.131 . . . . 0.46000000000000002 111.562 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -69.83 -27.83 34.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.833 0.349 . . . . 1.0700000000000001 111.029 -175.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -64.98 -21.37 66.83 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.167 0.508 . . . . 4.7999999999999998 110.573 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.61 -38.38 90.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.704 -0.68 . . . . 2.4100000000000001 110.852 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.634 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 47.1 m-70 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.63 110.946 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HG2' ' HB1' ' A' ' 40' ' ' ALA . 98.5 mt-30 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.616 0.246 . . . . 2.6899999999999999 110.854 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.565 ' HB2' HD11 ' A' ' 47' ' ' LEU . 49.7 t -59.07 107.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.628 -0.879 . . . . 0.29999999999999999 108.628 169.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.73 -11.52 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 113.264 0.838 . . . . 2.1400000000000001 113.264 -172.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -100.78 -35.15 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.112 0.782 . . . . 2.52 113.112 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.1 p -120.86 -19.15 7.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.314 -0.955 . . . . 0.35999999999999999 112.079 -176.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 -14.63 58.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.41999999999999998 113.318 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 33.4 tptt -54.19 119.24 4.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 117.308 0.554 . . . . 2.6499999999999999 110.863 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HB1' ' HG2' ' A' ' 33' ' ' GLN . . . -106.34 120.34 41.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.525 . . . . 1.1799999999999999 111.266 -177.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' HD2' HD12 ' A' ' 47' ' ' LEU . 77.7 m-85 -106.79 138.1 43.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.469 -0.567 . . . . 0.81000000000000005 109.469 174.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -65.42 -21.53 66.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 2.2799999999999998 111.022 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -111.42 118.88 37.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.366 -0.605 . . . . 3.1000000000000001 109.366 173.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.663 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.75 -38.71 91.63 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.322 -0.854 . . . . 1.1299999999999999 112.197 -172.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.533 ' HA ' HG12 ' A' ' 48' ' ' ILE . 41.3 t -72.3 -28.07 62.86 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.277 -0.569 . . . . 1.6699999999999999 111.684 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 t -64.53 -42.02 96.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.781 -1.192 . . . . 1.6100000000000001 107.781 172.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 34' ' ' CYS . 49.9 tp -61.04 -38.99 88.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.546 -1.206 . . . . 1.8 111.637 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.8 mm -53.52 -43.17 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.775 0.321 . . . . 1.54 111.228 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.31 97.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.437 0.637 . . . . 1.1000000000000001 109.877 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.628 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 16.1 t60 -63.13 -44.5 95.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.905 -1.043 . . . . 0.46000000000000002 111.41 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -67.51 -26.59 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 1.0700000000000001 110.82 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -65.66 -16.75 64.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.184 -0.462 . . . . 4.7999999999999998 111.054 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.628 ' HB3' ' O ' ' A' ' 50' ' ' HIS . 5.5 tt0 -64.02 -37.18 86.48 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 123.106 0.562 . . . . 2.4100000000000001 110.812 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 37.2 m-70 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.795 -0.639 . . . . 0.63 110.724 -174.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.525 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 2.3 mp0 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.005 -0.369 . . . . 2.6899999999999999 110.005 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 14.0 t -69.42 95.82 0.84 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.68 -1.23 . . . . 0.29999999999999999 107.68 169.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -52.56 -18.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.278 0.844 . . . . 2.1400000000000001 113.278 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.9 mmm -91.87 -32.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.94 0.719 . . . . 2.52 112.94 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 15.9 p -121.99 -10.85 8.58 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.285 -0.966 . . . . 0.35999999999999999 112.611 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.91 -9.39 76.78 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 121.145 -0.55 . . . . 0.41999999999999998 113.586 177.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -65.94 132.36 48.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.285 0.543 . . . . 2.6499999999999999 110.936 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HB1' ' HG3' ' A' ' 33' ' ' GLN . . . -120.57 120.88 37.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.935 0.398 . . . . 1.1799999999999999 110.723 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' H ' HD23 ' A' ' 47' ' ' LEU . 77.7 m-85 -98.99 151.26 21.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.81000000000000005 110.487 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -67.44 -20.56 65.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.429 -0.805 . . . . 2.2799999999999998 111.058 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -106.71 117.71 34.77 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.24 -0.652 . . . . 3.1000000000000001 109.24 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.692 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.21 -41.03 99.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 1.1299999999999999 112.228 -175.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -73.74 -31.99 63.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.498 -0.481 . . . . 1.6699999999999999 111.21 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -65.05 -37.66 88.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.435 -0.95 . . . . 1.6100000000000001 108.435 174.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 41' ' ' PHE . 1.6 tm? -58.01 -53.62 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.627 -1.169 . . . . 1.8 110.027 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.692 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.2 mm -53.49 -43.62 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.787 -0.642 . . . . 1.54 111.071 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.32 97.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.619 0.724 . . . . 1.1000000000000001 110.261 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.403 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 13.4 t60 -64.97 -38.57 91.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.94 -1.027 . . . . 0.46000000000000002 111.647 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 48' ' ' ILE . 6.1 p -69.66 -27.62 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.073 -0.392 . . . . 1.0700000000000001 110.851 -176.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -68.33 -18.71 64.57 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.281 -0.418 . . . . 4.7999999999999998 111.11 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.53 -38.58 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 2.4100000000000001 110.745 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 45.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.63 110.321 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.521 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 20.1 mt-30 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.178 -0.304 . . . . 2.6899999999999999 110.178 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' HB2' HD13 ' A' ' 47' ' ' LEU . 41.3 t -55.59 106.84 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.627 -0.879 . . . . 0.29999999999999999 108.627 169.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 m -60.31 -3.99 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 112.683 0.624 . . . . 2.1400000000000001 112.683 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.7 mmt -99.65 -44.95 5.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.716 -0.22 . . . . 2.52 111.554 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 17.3 p -120.29 -22.86 6.39 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 119.762 -0.775 . . . . 0.35999999999999999 112.573 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 -4.35 52.32 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.796 -0.716 . . . . 0.41999999999999998 113.392 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 14.7 tptm -56.95 125.56 23.12 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.275 0.538 . . . . 2.6499999999999999 110.536 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.521 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -106.69 143.85 34.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.383 -0.371 . . . . 1.1799999999999999 111.42 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.744 ' HD2' HD11 ' A' ' 47' ' ' LEU . 75.7 m-85 -136.23 153.71 51.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.946 -0.57 . . . . 0.81000000000000005 109.469 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -81.66 -19.19 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.261 0.553 . . . . 2.2799999999999998 110.435 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.883 HE21 ' HA ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -110.52 119.78 40.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.758 -0.655 . . . . 3.1000000000000001 109.85 177.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.634 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.36 -45.24 95.2 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.924 -1.035 . . . . 1.1299999999999999 113.106 -170.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.711 ' HA ' HG12 ' A' ' 48' ' ' ILE . 63.7 p -81.32 -19.45 42.84 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.868 -0.733 . . . . 1.6699999999999999 111.423 -173.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 m -62.4 -43.31 99.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.821 -1.177 . . . . 1.6100000000000001 107.821 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.744 HD11 ' HD2' ' A' ' 41' ' ' PHE . 50.2 tp -66.1 -37.68 86.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.73 -1.123 . . . . 1.8 111.196 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.711 HG12 ' HA ' ' A' ' 45' ' ' SER . 43.4 mm -57.76 -44.58 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 1.54 110.495 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.06 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.476 0.655 . . . . 1.1000000000000001 109.518 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.89 -51.35 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.894 -1.048 . . . . 0.46000000000000002 111.464 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 48' ' ' ILE . 3.0 p -65.13 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.688 0.28 . . . . 1.0700000000000001 111.116 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -69.91 -17.52 63.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 4.7999999999999998 110.896 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.87 -27.67 67.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.021 0.439 . . . . 2.4100000000000001 111.027 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 46.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.573 . . . . 0.63 109.905 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.6 tttm . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.311 -0.255 . . . . 4.9000000000000004 110.311 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.34 122.45 11.7 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.73 2.287 . . . . 3.1099999999999999 111.493 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -129.31 172.45 11.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.184 -0.462 . . . . 2.9399999999999999 109.917 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.524 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.3 mp0 -113.68 138.96 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.185 -0.461 . . . . 2.6899999999999999 110.43 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.55 97.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.249 -1.019 . . . . 0.29999999999999999 108.249 168.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 p -53.28 -19.95 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.181 0.515 . . . . 2.1400000000000001 111.731 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.627 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 96.2 mmm -76.8 -50.36 13.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 2.52 111.926 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.3 p -116.92 -16.68 10.54 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.74 -0.784 . . . . 0.35999999999999999 112.491 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.42 2.31 60.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.993 -0.623 . . . . 0.41999999999999998 113.393 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -70.33 119.14 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.235 0.518 . . . . 2.6499999999999999 110.413 176.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -99.44 146.47 26.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.564 . . . . 1.1799999999999999 110.949 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HD2' HD21 ' A' ' 47' ' ' LEU . 56.9 m-85 -134.06 147.36 50.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.225 0.536 . . . . 0.81000000000000005 110.713 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 t -71.38 -16.59 62.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.072 -0.967 . . . . 2.2799999999999998 111.293 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.92 119.66 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.134 0.492 . . . . 3.1000000000000001 110.428 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.677 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.077 -0.965 . . . . 1.1299999999999999 112.381 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 m -73.24 -34.79 66.06 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.134 -0.627 . . . . 1.6699999999999999 111.452 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -63.15 -38.13 89.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.744 -0.836 . . . . 1.6100000000000001 108.744 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.6 tm? -57.76 -54.26 48.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.634 -1.167 . . . . 1.8 110.354 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 44' ' ' ALA . 30.0 mm -52.82 -44.07 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.857 -0.61 . . . . 1.54 111.255 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.75 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.377 0.608 . . . . 1.1000000000000001 110.086 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -60.87 -47.33 86.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.199 -0.909 . . . . 0.46000000000000002 111.398 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.487 HG11 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -66.32 -29.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 1.0700000000000001 110.719 -175.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -63.34 -24.08 67.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 4.7999999999999998 110.995 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.27 -39.96 94.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 2.4100000000000001 111.401 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.627 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 23.6 m-70 -75.7 -23.92 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.108 0.48 . . . . 0.63 110.129 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.8 m -82.19 -45.86 14.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.831 -0.622 . . . . 2.1899999999999999 110.393 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.7 176.34 17.64 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.576 -0.821 . . . . 2.3300000000000001 112.637 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.75 -172.47 1.57 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.56 -0.32 . . . . 4.4400000000000004 110.499 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.582 -0.723 . . . . 9.1099999999999994 109.733 175.843 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.216 -0.29 . . . . 4.9000000000000004 110.216 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.32 118.19 5.49 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.294 1.996 . . . . 3.1099999999999999 110.496 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.3 m -115.93 141.68 47.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.158 0.504 . . . . 2.9399999999999999 111.231 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.521 ' HG2' ' HB1' ' A' ' 40' ' ' ALA . 53.4 mt-30 -112.04 145.38 39.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.391 -0.822 . . . . 2.6899999999999999 110.669 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 51.0 t -59.63 97.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.111 -1.07 . . . . 0.29999999999999999 108.111 168.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -52.96 -18.93 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.223 0.535 . . . . 2.1400000000000001 112.006 -174.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.63 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 23.1 mmt -81.1 -40.05 24.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.359 0.503 . . . . 2.52 112.359 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 19.8 p -121.65 -21.16 6.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 119.457 -0.897 . . . . 0.35999999999999999 112.731 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 2.63 55.37 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.792 -0.718 . . . . 0.41999999999999998 113.703 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -79.81 131.6 35.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.34 0.57 . . . . 2.6499999999999999 110.634 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.521 ' HB1' ' HG2' ' A' ' 33' ' ' GLN . . . -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 1.1799999999999999 111.284 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' HD2' HD22 ' A' ' 47' ' ' LEU . 57.3 m-85 -137.59 166.28 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.645 -0.707 . . . . 0.81000000000000005 110.051 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -85.27 -30.47 23.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 2.2799999999999998 110.169 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -103.75 121.98 44.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.766 -0.652 . . . . 3.1000000000000001 110.289 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.757 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.4 -33.75 72.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.217 -0.901 . . . . 1.1299999999999999 111.939 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 m -77.71 -35.63 51.87 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.578 -0.449 . . . . 1.6699999999999999 112.001 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 p -66.51 -32.89 74.53 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.771 -0.825 . . . . 1.6100000000000001 108.771 173.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.514 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.5 tm? -59.12 -54.36 47.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.843 -1.071 . . . . 1.8 109.268 173.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.757 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.9 mm -55.9 -42.72 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.74 -0.664 . . . . 1.54 111.233 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.02 83.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.304 0.574 . . . . 1.1000000000000001 109.958 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.456 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 15.8 t60 -62.22 -44.32 96.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.956 -1.02 . . . . 0.46000000000000002 111.503 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 48' ' ' ILE . 4.1 p -70.7 -28.81 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.977 0.418 . . . . 1.0700000000000001 110.691 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -64.59 -24.86 67.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.265 -0.425 . . . . 4.7999999999999998 110.825 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -61.67 -42.13 98.49 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.488 -0.324 . . . . 2.4100000000000001 110.637 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.63 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 19.5 m-70 -75.41 -30.4 60.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.204 0.526 . . . . 0.63 109.83 177.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 m -74.49 -12.89 60.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.437 -0.801 . . . . 2.1899999999999999 110.407 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.46 -116.36 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.439 -0.665 . . . . 2.3300000000000001 111.439 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -97.17 164.94 12.29 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.213 0.53 . . . . 4.4400000000000004 111.1 -178.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm . . . . . 0 C--O 1.247 0.953 0 CA-C-N 115.45 -0.795 . . . . 9.1099999999999994 109.946 -174.708 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.516 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 22.2 pttp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.52 -0.548 . . . . 4.9000000000000004 109.52 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 30' ' ' LYS . 18.9 Cg_endo -60.06 119.26 6.36 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.423 2.082 . . . . 3.1099999999999999 112.337 -176.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 p -117.65 144.12 45.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.038 -0.528 . . . . 2.9399999999999999 110.523 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 1.5 mp0 -107.5 144.09 34.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.11 0.481 . . . . 2.6899999999999999 110.609 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.554 ' HB2' HD13 ' A' ' 47' ' ' LEU . 45.5 t -63.53 93.0 0.07 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.827 -1.175 . . . . 0.29999999999999999 107.827 168.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 t -54.85 -17.96 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.252 0.548 . . . . 2.1400000000000001 111.53 -173.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.3 mmm -77.52 -40.29 43.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 2.52 111.986 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 19.3 p -121.85 -30.81 4.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 119.538 -0.865 . . . . 0.35999999999999999 112.619 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.17 -6.56 21.47 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.898 -0.668 . . . . 0.41999999999999998 113.459 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -60.68 123.99 19.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.054 0.427 . . . . 2.6499999999999999 110.545 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -101.46 128.03 47.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.023 0.44 . . . . 1.1799999999999999 111.17 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.672 ' HD2' HD11 ' A' ' 47' ' ' LEU . 70.3 m-85 -125.43 131.75 52.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.909 -0.587 . . . . 0.81000000000000005 110.33 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -74.67 -19.62 60.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.315 -0.857 . . . . 2.2799999999999998 110.755 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -100.23 117.17 33.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 3.1000000000000001 109.498 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.638 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.08 -44.85 94.61 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.223 -0.899 . . . . 1.1299999999999999 112.229 -172.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.686 ' HA ' HG12 ' A' ' 48' ' ' ILE . 19.4 m -81.92 -20.64 38.3 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.895 -0.722 . . . . 1.6699999999999999 111.51 -172.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -64.66 -41.9 95.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.481 -1.303 . . . . 1.6100000000000001 107.481 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.672 HD11 ' HD2' ' A' ' 41' ' ' PHE . 27.5 tp -64.47 -40.74 96.26 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.709 -1.132 . . . . 1.8 111.165 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.686 HG12 ' HA ' ' A' ' 45' ' ' SER . 38.9 mm -52.8 -45.96 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 1.54 110.674 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.66 97.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.399 0.619 . . . . 1.1000000000000001 109.888 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -60.75 -48.81 80.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.028 -0.987 . . . . 0.46000000000000002 111.259 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' SG ' ' A' ' 34' ' ' CYS . 1.2 p -66.98 -28.07 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.326 . . . . 1.0700000000000001 110.731 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.606 ' O ' HG23 ' A' ' 55' ' ' THR . 44.3 ttp180 -65.05 -16.79 63.85 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.151 -0.477 . . . . 4.7999999999999998 110.986 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -69.5 -29.58 67.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.342 0.591 . . . . 2.4100000000000001 109.985 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 60.6 m-70 -86.79 -2.76 58.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.363 -0.835 . . . . 0.63 111.408 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 52' ' ' ARG . 3.5 t -72.92 -15.59 61.57 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.29 0.567 . . . . 2.1899999999999999 109.652 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.64 161.46 10.4 Favored Glycine 0 N--CA 1.441 -0.996 0 CA-C-N 115.541 -0.754 . . . . 2.3300000000000001 112.012 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -130.38 172.59 11.69 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.05 -0.575 . . . . 4.4400000000000004 109.469 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.673 -0.68 . . . . 9.1099999999999994 110.366 179.772 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.558 0.218 . . . . 4.9000000000000004 110.434 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.2 119.83 6.94 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.416 2.078 . . . . 3.1099999999999999 110.652 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 p -116.15 139.99 49.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.379 0.609 . . . . 2.9399999999999999 111.498 -175.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.53 ' HG3' ' HB3' ' A' ' 40' ' ' ALA . 1.6 mp0 -106.58 161.51 14.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.322 -0.854 . . . . 2.6899999999999999 108.864 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.544 ' HB2' HD13 ' A' ' 47' ' ' LEU . 8.8 t -64.7 89.34 0.07 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.14 -1.43 . . . . 0.29999999999999999 107.14 167.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.18 -23.32 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.141 0.423 . . . . 2.1400000000000001 112.141 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.864 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 14.3 tpt -76.79 -43.03 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.075 0.398 . . . . 2.52 112.075 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.5 p -111.84 -20.6 11.98 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 119.405 -0.918 . . . . 0.35999999999999999 111.703 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.23 -14.61 58.23 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.242 -0.504 . . . . 0.41999999999999998 113.456 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -74.06 132.63 42.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.418 0.609 . . . . 2.6499999999999999 110.741 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.53 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . . . -107.67 130.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.32 -0.4 . . . . 1.1799999999999999 111.481 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.699 ' HD2' HD11 ' A' ' 47' ' ' LEU . 35.2 m-85 -101.35 158.88 15.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.192 0.52 . . . . 0.81000000000000005 110.331 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -79.75 -19.88 47.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 2.2799999999999998 109.987 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -115.85 118.26 32.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 3.1000000000000001 110.185 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.68 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -64.24 -39.76 94.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.108 -0.951 . . . . 1.1299999999999999 111.979 -172.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -77.06 -31.45 56.12 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.177 -0.609 . . . . 1.6699999999999999 111.261 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.5 m -61.45 -40.35 94.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.307 -0.997 . . . . 1.6100000000000001 108.307 171.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' A' ' 41' ' ' PHE . 52.6 tp -62.35 -42.4 99.37 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.821 -1.081 . . . . 1.8 111.872 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 44' ' ' ALA . 34.2 mm -56.84 -43.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 1.54 110.487 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.59 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.46 0.648 . . . . 1.1000000000000001 109.689 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.436 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 50.7 t60 -63.69 -47.32 81.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.46000000000000002 111.638 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.8 p -67.22 -28.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.72 0.295 . . . . 1.0700000000000001 110.607 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -59.48 -30.84 68.83 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.985 -0.552 . . . . 4.7999999999999998 110.36 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.803 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -63.36 -30.86 71.92 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.957 -0.565 . . . . 2.4100000000000001 111.143 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.864 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 71.2 m-70 -80.33 -17.77 51.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 0.63 110.065 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 m -82.55 -3.66 56.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.815 0.817 . . . . 2.1899999999999999 109.399 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.98 -156.87 8.05 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.745 -1.116 . . . . 2.3300000000000001 110.897 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -125.52 101.8 7.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.447 0.642 . . . . 4.4400000000000004 111.652 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' CD ' ' HB3' ' A' ' 53' ' ' GLN . 3.2 ptmm? . . . . . 0 C--O 1.247 0.935 0 CA-C-N 115.22 -0.9 . . . . 9.1099999999999994 110.155 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.642 0.258 . . . . 4.9000000000000004 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -62.18 130.22 29.79 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.714 1.609 . . . . 3.1099999999999999 109.182 168.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.4 m -106.88 155.15 20.06 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.068 0.461 . . . . 2.9399999999999999 111.247 -168.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.705 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.6 pt20 -110.49 149.25 30.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.441 -0.8 . . . . 2.6899999999999999 109.77 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.511 ' HB2' HD13 ' A' ' 47' ' ' LEU . 42.1 t -57.36 104.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.844 . . . . 0.29999999999999999 109.034 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -54.35 -25.14 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 2.1400000000000001 111.44 -175.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.51 -43.1 40.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.63 . . . . 2.52 112.46 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.614 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 22.7 p -120.92 -10.74 9.05 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 119.54 -0.864 . . . . 0.35999999999999999 112.758 -174.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 6.46 74.03 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.808 -0.711 . . . . 0.41999999999999998 113.366 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.7 mptm? -85.53 119.66 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.078 0.439 . . . . 2.6499999999999999 110.499 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.705 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -100.57 159.31 15.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 1.1799999999999999 111.255 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HD2' HD11 ' A' ' 47' ' ' LEU . 69.6 m-85 -138.37 162.57 34.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.688 -0.687 . . . . 0.81000000000000005 109.721 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -69.6 -16.58 63.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 2.2799999999999998 111.622 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -134.54 125.58 27.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 3.1000000000000001 110.398 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.692 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.38 -38.29 83.46 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.025 -0.989 . . . . 1.1299999999999999 112.46 -175.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.447 ' HA ' HG12 ' A' ' 48' ' ' ILE . 4.4 p -74.29 -33.37 63.21 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.304 -0.558 . . . . 1.6699999999999999 111.847 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -62.8 -38.0 88.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.881 -0.785 . . . . 1.6100000000000001 108.881 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.523 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 56.5 tp -62.56 -40.18 96.03 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.72 -1.127 . . . . 1.8 111.44 177.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.692 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.0 mm -53.38 -40.33 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.224 -0.444 . . . . 1.54 110.793 -177.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 96.0 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.292 0.568 . . . . 1.1000000000000001 109.801 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -59.57 -51.49 69.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.46000000000000002 111.023 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.497 HG11 ' HA ' ' A' ' 48' ' ' ILE . 4.5 p -65.46 -27.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 1.0700000000000001 111.0 -174.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -68.22 -18.66 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 4.7999999999999998 111.011 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.27 -31.03 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.344 . . . . 2.4100000000000001 111.529 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.462 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m-70 -73.65 -13.05 60.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.374 0.607 . . . . 0.63 109.996 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -111.89 14.41 20.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.5 -0.773 . . . . 2.1899999999999999 109.439 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.07 173.14 17.23 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.352 -0.84 . . . . 2.3300000000000001 112.046 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -79.86 169.11 18.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.979 0.418 . . . . 4.4400000000000004 111.4 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.846 -0.597 . . . . 9.1099999999999994 110.312 179.659 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 pttt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.676 0.274 . . . . 4.9000000000000004 110.373 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HB3' ' HA ' ' A' ' 42' ' ' THR . 22.6 Cg_exo -65.78 120.33 7.5 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.566 2.177 . . . . 3.1099999999999999 110.744 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.721 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 58.0 m -112.35 162.92 15.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.285 -0.416 . . . . 2.9399999999999999 111.326 -172.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -111.38 137.27 49.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 2.6899999999999999 110.127 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' N ' HD21 ' A' ' 47' ' ' LEU . 53.6 t -64.36 93.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.735 -1.209 . . . . 0.29999999999999999 107.735 169.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.3 -15.88 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.2 0.524 . . . . 2.1400000000000001 111.719 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.0 mmm -77.97 -47.97 17.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.12 -0.491 . . . . 2.52 111.757 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.773 ' SG ' ' HG2' ' A' ' 39' ' ' LYS . 17.2 p -122.63 -9.23 8.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.039 0.755 . . . . 0.35999999999999999 113.039 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.99 -4.82 61.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 114.759 0.664 . . . . 0.41999999999999998 114.759 173.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.773 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 73.0 mmtt -63.62 126.76 28.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.991 0.895 . . . . 2.6499999999999999 110.768 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.94 133.44 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 1.1799999999999999 110.959 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' HD2' HD23 ' A' ' 47' ' ' LEU . 71.2 m-85 -130.62 136.78 49.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.81000000000000005 110.441 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.428 ' HA ' ' HB3' ' A' ' 31' ' ' PRO . 2.7 p -64.56 -31.45 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.357 -0.838 . . . . 2.2799999999999998 111.366 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -95.42 119.09 33.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.993 -0.549 . . . . 3.1000000000000001 109.818 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.746 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.71 -34.25 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 1.1299999999999999 111.469 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 t -75.38 -35.64 61.05 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.543 -0.463 . . . . 1.6699999999999999 111.263 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -62.35 -38.49 89.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.804 -0.813 . . . . 1.6100000000000001 108.804 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.721 ' HG ' ' HB2' ' A' ' 32' ' ' CYS . 1.4 tm? -57.69 -55.4 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.308 -1.314 . . . . 1.8 110.025 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.746 HG12 ' O ' ' A' ' 44' ' ' ALA . 33.3 mm -53.87 -43.53 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 1.54 111.149 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.73 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.22 0.534 . . . . 1.1000000000000001 109.935 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -60.2 -49.49 77.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.915 -1.039 . . . . 0.46000000000000002 111.026 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.485 HG11 ' HA ' ' A' ' 48' ' ' ILE . 2.9 p -66.13 -28.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 1.0700000000000001 110.828 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.63 -24.48 66.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.03 -0.532 . . . . 4.7999999999999998 111.174 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -61.69 -40.62 95.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.937 0.399 . . . . 2.4100000000000001 110.916 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.433 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 28.7 m-70 -74.11 -17.71 60.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.2 0.524 . . . . 0.63 110.095 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -91.82 -9.17 44.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.532 0.682 . . . . 2.1899999999999999 110.048 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.14 -128.42 5.68 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.251 -0.886 . . . . 2.3300000000000001 112.258 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -130.29 174.12 10.14 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 110.139 -0.319 . . . . 4.4400000000000004 110.139 -176.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.303 -0.856 . . . . 9.1099999999999994 109.906 173.37 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 25.4 pttm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.775 0.322 . . . . 4.9000000000000004 110.233 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 16.4 Cg_exo -67.66 119.75 6.77 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.733 2.289 . . . . 3.1099999999999999 111.813 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.7 m -108.98 137.32 47.08 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.957 -0.757 . . . . 2.9399999999999999 108.957 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -110.26 136.16 49.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.045 0.45 . . . . 2.6899999999999999 111.285 -176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 51' ' ' VAL . 54.1 t -65.47 92.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.837 -1.172 . . . . 0.29999999999999999 107.837 166.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 t -51.44 -21.88 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.152 0.501 . . . . 2.1400000000000001 111.612 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmt -70.18 -49.0 54.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.44 0.533 . . . . 2.52 112.44 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 19.4 p -121.35 -18.08 7.43 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 119.555 -0.858 . . . . 0.35999999999999999 112.597 -174.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.8 0.27 55.21 Favored Glycine 0 C--O 1.229 -0.198 0 C-N-CA 120.902 -0.666 . . . . 0.41999999999999998 113.379 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 27.9 tptt -60.84 119.61 8.56 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 117.152 0.476 . . . . 2.6499999999999999 110.266 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.28 130.27 53.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.912 0.387 . . . . 1.1799999999999999 111.598 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.09 142.92 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.673 -0.694 . . . . 0.81000000000000005 109.409 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.0 p -82.64 -5.34 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.449 . . . . 2.2799999999999998 110.711 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -111.05 118.73 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.716 -0.675 . . . . 3.1000000000000001 109.771 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.696 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.88 -35.37 79.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.311 -0.859 . . . . 1.1299999999999999 112.193 -171.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.1 p -77.1 -37.64 53.89 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.471 -0.492 . . . . 1.6699999999999999 112.057 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 m -60.44 -38.57 84.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.625 -0.88 . . . . 1.6100000000000001 108.625 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.1 tm? -57.27 -57.6 11.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.289 -1.323 . . . . 1.8 110.272 176.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.696 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.1 mm -54.78 -42.26 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 1.54 111.098 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.19 82.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 1.1000000000000001 109.863 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.07 -42.61 99.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.927 -1.033 . . . . 0.46000000000000002 111.556 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.458 HG23 ' SG ' ' A' ' 34' ' ' CYS . 3.7 p -72.28 -28.89 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.727 -0.215 . . . . 1.0700000000000001 110.556 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -65.4 -21.24 66.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.38 -0.373 . . . . 4.7999999999999998 110.786 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -61.19 -38.8 87.85 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.155 0.502 . . . . 2.4100000000000001 110.272 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.413 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 34.3 m-70 -75.85 -36.07 59.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.63 109.682 178.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 m -68.3 -40.03 81.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.484 -0.78 . . . . 2.1899999999999999 111.237 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.67 -96.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.276 -0.488 . . . . 2.3300000000000001 112.479 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.01 138.2 50.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.188 0.518 . . . . 4.4400000000000004 110.606 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.538 -0.755 . . . . 9.1099999999999994 110.257 -178.408 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.9 mttm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.589 -0.523 . . . . 4.9000000000000004 109.589 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.67 148.12 86.72 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.437 2.091 . . . . 3.1099999999999999 110.856 174.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.2 t -108.41 137.95 45.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.865 0.364 . . . . 2.9399999999999999 110.243 -176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.549 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 2.2 mp0 -96.14 134.95 38.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.782 -0.645 . . . . 2.6899999999999999 111.116 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.568 ' HB2' HD11 ' A' ' 47' ' ' LEU . 42.7 t -57.33 106.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.069 -1.086 . . . . 0.29999999999999999 108.069 168.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 t -51.84 -25.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 123.659 0.599 . . . . 2.1400000000000001 111.9 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.3 mmm -85.1 -45.78 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.898 0.703 . . . . 2.52 112.898 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.4 p -116.81 -6.68 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.575 -0.85 . . . . 0.35999999999999999 112.635 -171.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.58 85.87 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.538 -0.839 . . . . 0.41999999999999998 114.126 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.63 127.86 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.369 0.584 . . . . 2.6499999999999999 110.662 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -103.51 154.99 18.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.992 0.425 . . . . 1.1799999999999999 111.713 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.613 ' HD2' HD12 ' A' ' 47' ' ' LEU . 58.7 m-85 -138.31 152.7 48.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.627 -0.715 . . . . 0.81000000000000005 109.785 174.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -72.0 -13.26 61.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.643 -0.708 . . . . 2.2799999999999998 111.274 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -128.41 119.61 25.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.819 -0.628 . . . . 3.1000000000000001 109.857 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.703 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -38.12 82.53 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.328 -0.851 . . . . 1.1299999999999999 111.778 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.519 ' HA ' HG12 ' A' ' 48' ' ' ILE . 27.9 p -73.5 -36.18 65.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.466 -0.493 . . . . 1.6699999999999999 111.87 -175.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 m -61.98 -36.57 81.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.575 -0.898 . . . . 1.6100000000000001 108.575 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.613 HD12 ' HD2' ' A' ' 41' ' ' PHE . 61.6 tp -64.0 -37.27 86.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.059 -0.973 . . . . 1.8 111.272 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.703 HG12 ' O ' ' A' ' 44' ' ' ALA . 38.5 mm -57.28 -40.98 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 1.54 110.541 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.36 89.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 1.1000000000000001 109.426 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -57.04 -53.37 58.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.98 -1.009 . . . . 0.46000000000000002 110.946 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.506 HG22 ' SG ' ' A' ' 34' ' ' CYS . 2.9 p -66.57 -26.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 1.0700000000000001 111.266 -173.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -63.61 -18.12 63.59 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.133 -0.485 . . . . 4.7999999999999998 111.207 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.35 -49.19 74.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 2.4100000000000001 110.879 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 38.9 m-70 -67.74 -21.2 65.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.617 -0.719 . . . . 0.63 110.239 -176.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -107.77 15.86 24.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.871 -0.604 . . . . 2.1899999999999999 110.672 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -126.07 -123.06 2.64 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.771 -0.728 . . . . 2.3300000000000001 112.217 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -121.58 -179.89 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.89 0.376 . . . . 4.4400000000000004 111.269 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.546 -0.752 . . . . 9.1099999999999994 111.159 179.554 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 110.059 -0.348 . . . . 4.9000000000000004 110.059 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 32.9 Cg_endo -64.57 133.85 38.7 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.595 2.196 . . . . 3.1099999999999999 112.382 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.9 t -136.01 142.62 44.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.797 -0.638 . . . . 2.9399999999999999 109.304 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -89.96 134.51 34.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.837 0.351 . . . . 2.6899999999999999 110.613 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.517 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 37.6 t -67.35 93.54 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.857 -1.164 . . . . 0.29999999999999999 107.857 168.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.9 t -47.48 -28.58 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.551 0.532 . . . . 2.1400000000000001 112.008 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.541 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -78.66 -35.92 44.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.156 0.799 . . . . 2.52 113.156 -176.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.665 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 18.0 p -120.39 -23.01 6.28 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.46 -0.896 . . . . 0.35999999999999999 112.361 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.49 0.19 59.52 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.161 -0.542 . . . . 0.41999999999999998 113.591 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -78.16 127.89 32.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.388 0.594 . . . . 2.6499999999999999 109.709 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.78 135.6 48.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.546 -0.297 . . . . 1.1799999999999999 111.208 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.521 ' O ' ' HA ' ' A' ' 31' ' ' PRO . 48.0 m-85 -113.83 156.2 24.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.172 -0.467 . . . . 0.81000000000000005 110.381 177.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -72.85 -25.84 61.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.315 -0.857 . . . . 2.2799999999999998 111.491 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -108.3 118.43 36.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.309 0.576 . . . . 3.1000000000000001 110.281 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.748 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -35.41 75.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.101 -0.954 . . . . 1.1299999999999999 112.091 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -76.06 -34.85 59.61 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.447 0.536 . . . . 1.6699999999999999 112.447 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -70.22 -31.43 68.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.75 -0.833 . . . . 1.6100000000000001 108.75 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.556 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.9 tm? -58.63 -52.55 65.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.332 -1.304 . . . . 1.8 110.106 173.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.748 HG12 ' O ' ' A' ' 44' ' ' ALA . 36.4 mm -52.22 -43.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.82 -0.627 . . . . 1.54 111.433 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.17 99.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.562 0.696 . . . . 1.1000000000000001 109.914 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.517 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 22.0 t60 -65.45 -43.53 90.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.689 -1.141 . . . . 0.46000000000000002 111.45 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.2 p -68.37 -27.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.291 . . . . 1.0700000000000001 110.738 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -63.19 -19.43 64.5 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.105 0.479 . . . . 4.7999999999999998 111.302 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -75.09 -31.85 61.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.154 -0.475 . . . . 2.4100000000000001 110.959 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.665 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 50.9 m-70 -79.82 0.16 32.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.8 -0.637 . . . . 0.63 111.083 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.5 m -59.02 -27.27 65.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.262 0.553 . . . . 2.1899999999999999 110.459 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.8 -134.91 12.76 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.889 -0.672 . . . . 2.3300000000000001 113.0 172.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -128.33 155.03 45.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.92 0.391 . . . . 4.4400000000000004 110.73 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.952 -1.023 . . . . 9.1099999999999994 109.178 172.365 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.974 -0.38 . . . . 4.9000000000000004 109.974 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.13 128.04 16.92 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.585 2.19 . . . . 3.1099999999999999 111.252 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.531 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 4.2 p -109.45 118.77 37.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.156 0.503 . . . . 2.9399999999999999 110.762 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.494 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 12.3 mp0 -119.2 139.32 52.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.506 -0.77 . . . . 2.6899999999999999 110.617 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' SG ' HG21 ' A' ' 51' ' ' VAL . 36.4 t -67.06 93.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.813 -1.18 . . . . 0.29999999999999999 107.813 170.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.73 -12.27 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 2.1400000000000001 111.705 -172.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -77.55 -44.44 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.464 -0.334 . . . . 2.52 111.616 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.636 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 17.6 p -120.46 -4.77 9.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 119.543 -0.863 . . . . 0.35999999999999999 112.507 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.41 8.87 85.68 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.224 -0.512 . . . . 0.41999999999999998 113.75 174.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.636 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.6 mptm? -83.6 130.71 34.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.287 0.543 . . . . 2.6499999999999999 110.548 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB1' ' HG3' ' A' ' 33' ' ' GLN . . . -101.36 149.58 23.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 1.1799999999999999 111.238 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.505 ' HD2' HD23 ' A' ' 47' ' ' LEU . 48.6 m-85 -132.39 163.68 28.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.521 . . . . 0.81000000000000005 110.115 175.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -93.39 3.49 55.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.012 -0.54 . . . . 2.2799999999999998 111.295 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.404 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 52.1 mt-30 -135.64 121.94 20.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.009 -0.542 . . . . 3.1000000000000001 109.858 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.64 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -56.76 -38.61 72.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.305 -0.861 . . . . 1.1299999999999999 111.964 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.652 ' HA ' HD12 ' A' ' 48' ' ' ILE . 14.0 m -78.54 -34.65 46.98 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.349 -0.54 . . . . 1.6699999999999999 112.255 -173.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.404 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 42.0 p -66.42 -33.35 75.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.548 -0.908 . . . . 1.6100000000000001 108.548 175.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' HG ' ' HB2' ' A' ' 32' ' ' CYS . 1.2 tm? -58.65 -55.29 37.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.636 -1.166 . . . . 1.8 109.653 173.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 45' ' ' SER . 46.7 mt -53.9 -43.4 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.53 -0.759 . . . . 1.54 111.28 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.77 86.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.338 0.589 . . . . 1.1000000000000001 110.24 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.06 -40.83 97.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.026 -0.988 . . . . 0.46000000000000002 111.644 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 48' ' ' ILE . 2.1 p -71.44 -27.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.796 0.331 . . . . 1.0700000000000001 110.74 -174.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -59.94 -23.65 63.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.03 -0.532 . . . . 4.7999999999999998 110.983 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.81 -25.1 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 2.4100000000000001 110.78 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 50.3 m-70 -86.39 -35.39 19.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.496 -0.775 . . . . 0.63 110.462 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 p -78.1 -46.63 20.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.457 . . . . 2.1899999999999999 111.709 -175.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.85 -153.35 6.28 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.716 -0.754 . . . . 2.3300000000000001 111.978 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -130.6 167.28 18.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.628 0.251 . . . . 4.4400000000000004 110.511 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.298 -0.858 . . . . 9.1099999999999994 110.22 -178.534 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 121.075 0.464 . . . . 4.9000000000000004 110.379 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -81.1 156.49 19.98 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.109 2.54 . . . . 3.1099999999999999 112.257 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.6 t -108.13 128.16 54.44 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.673 -0.491 . . . . 2.9399999999999999 109.673 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' C ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -123.63 167.51 13.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.042 -0.526 . . . . 2.6899999999999999 110.386 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.52 ' HB2' HD13 ' A' ' 47' ' ' LEU . 47.5 t -63.26 92.25 0.06 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.29999999999999999 109.285 175.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.97 -13.87 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.808 0.337 . . . . 2.1400000000000001 111.774 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.7 -46.05 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 2.52 111.767 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 p -121.27 -29.37 4.51 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.744 -0.783 . . . . 0.35999999999999999 112.151 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.33 -2.1 25.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.41999999999999998 112.977 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.68 138.82 50.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.213 0.507 . . . . 2.6499999999999999 110.447 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.1 122.95 39.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.94 0.4 . . . . 1.1799999999999999 111.552 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 67.5 m-85 -107.24 137.27 45.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 0.81000000000000005 109.584 175.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -69.29 -21.52 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 2.2799999999999998 111.057 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -98.99 119.12 37.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.387 0.613 . . . . 3.1000000000000001 109.716 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.35 -42.14 81.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.784 -1.098 . . . . 1.1299999999999999 112.682 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.701 ' HA ' HD13 ' A' ' 48' ' ' ILE . 18.1 m -77.62 -29.41 51.82 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.033 -0.667 . . . . 1.6699999999999999 112.206 -172.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -58.96 -41.03 86.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.109 -1.071 . . . . 1.6100000000000001 108.109 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 34' ' ' CYS . 30.8 tp -66.01 -44.41 84.86 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.59 -1.186 . . . . 1.8 111.379 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 45' ' ' SER . 49.6 mt -55.35 -43.88 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.132 0.491 . . . . 1.54 110.388 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.9 98.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.546 0.688 . . . . 1.1000000000000001 109.785 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -64.11 -42.73 96.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.606 -1.179 . . . . 0.46000000000000002 111.966 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 HG11 ' O ' ' A' ' 48' ' ' ILE . 4.0 p -69.01 -28.59 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.794 0.331 . . . . 1.0700000000000001 110.516 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -72.87 -16.49 61.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.039 -0.528 . . . . 4.7999999999999998 110.842 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 2.4100000000000001 110.018 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 73.0 m-70 -78.56 -9.54 59.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.219 -0.9 . . . . 0.63 110.766 -177.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.9 m -69.42 -32.67 71.8 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.382 0.61 . . . . 2.1899999999999999 109.371 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.63 -121.12 3.45 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.667 -0.973 . . . . 2.3300000000000001 110.667 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -130.55 161.93 30.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.762 -0.458 . . . . 4.4400000000000004 109.762 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.573 -0.727 . . . . 9.1099999999999994 109.917 -178.871 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 55.4 mttp . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.661 0.267 . . . . 4.9000000000000004 110.383 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 2.7 Cg_exo -75.06 127.37 10.59 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.761 2.308 . . . . 3.1099999999999999 111.731 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 44' ' ' ALA . 6.9 p -113.36 136.36 52.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.139 -0.482 . . . . 2.9399999999999999 109.947 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.544 ' HG3' ' HB3' ' A' ' 40' ' ' ALA . 26.3 mp0 -93.74 136.21 34.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.096 0.474 . . . . 2.6899999999999999 111.574 -175.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 47' ' ' LEU . 43.1 t -61.62 94.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.287 -1.005 . . . . 0.29999999999999999 108.287 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -53.99 -20.48 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.033 0.444 . . . . 2.1400000000000001 111.714 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.9 mmm -73.85 -40.96 62.89 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.201 -0.454 . . . . 2.52 112.078 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 21.3 p -121.29 -30.06 4.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.546 -0.862 . . . . 0.35999999999999999 112.793 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.25 -4.96 25.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.489 -0.862 . . . . 0.41999999999999998 113.4 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -80.77 133.64 35.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.218 0.509 . . . . 2.6499999999999999 110.692 -179.219 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . . . -103.69 144.25 31.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 1.1799999999999999 112.58 -171.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 34.9 m-85 -130.32 142.89 50.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.349 -0.841 . . . . 0.81000000000000005 109.533 171.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 31' ' ' PRO . 18.6 p -73.82 -25.77 60.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 2.2799999999999998 110.842 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -102.5 120.61 40.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 3.1000000000000001 109.836 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.682 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.1 -42.51 98.64 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.04 -0.982 . . . . 1.1299999999999999 112.264 -175.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.64 ' HA ' HG12 ' A' ' 48' ' ' ILE . 16.4 m -77.13 -29.16 54.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.037 -0.665 . . . . 1.6699999999999999 111.731 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -61.05 -40.39 93.46 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 1.6100000000000001 108.297 171.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' CYS . 36.7 tp -64.24 -38.48 91.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.998 -1.001 . . . . 1.8 110.889 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.682 HG12 ' O ' ' A' ' 44' ' ' ALA . 41.3 mm -55.52 -43.79 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.911 0.386 . . . . 1.54 110.835 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.78 96.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.482 0.658 . . . . 1.1000000000000001 109.889 177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.68 -44.78 92.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.03 -0.986 . . . . 0.46000000000000002 111.29 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.534 HG21 ' SG ' ' A' ' 34' ' ' CYS . 1.3 p -70.59 -27.54 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.8 0.333 . . . . 1.0700000000000001 110.515 -177.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -61.32 -26.9 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.301 -0.409 . . . . 4.7999999999999998 110.97 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -61.3 -31.78 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.272 0.558 . . . . 2.4100000000000001 110.716 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 69.4 m-70 -83.24 -19.02 37.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.258 -0.883 . . . . 0.63 110.315 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m -70.53 -38.74 74.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.794 -0.639 . . . . 2.1899999999999999 111.28 -175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.21 -173.46 26.49 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.744 -0.741 . . . . 2.3300000000000001 111.68 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -98.82 173.32 6.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.961 0.41 . . . . 4.4400000000000004 110.943 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.434 -0.794 . . . . 9.1099999999999994 110.125 -179.796 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.5 mttm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.227 -0.286 . . . . 4.9000000000000004 110.227 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.94 120.81 8.13 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.652 2.235 . . . . 3.1099999999999999 112.163 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.1 m -116.32 128.82 55.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.134 0.492 . . . . 2.9399999999999999 111.376 -177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' N ' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -126.86 153.94 45.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 2.6899999999999999 109.369 176.44 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 24.0 t -63.44 94.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.17 -0.678 . . . . 0.29999999999999999 109.17 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.2 t -49.17 -30.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 123.409 0.443 . . . . 2.1400000000000001 111.945 -176.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.44 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -74.09 -40.55 62.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.043 0.757 . . . . 2.52 113.043 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.5 p -120.66 -7.14 9.65 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.319 -0.952 . . . . 0.35999999999999999 112.253 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.54 -5.97 83.47 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.348 -0.453 . . . . 0.41999999999999998 114.143 174.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 13.1 mptt -85.16 135.81 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.368 0.584 . . . . 2.6499999999999999 110.414 -176.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.59 155.0 28.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.066 0.46 . . . . 1.1799999999999999 111.676 -174.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -126.85 174.3 8.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.81000000000000005 109.993 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 t -79.11 -31.43 44.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.4 . . . . 2.2799999999999998 111.028 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.467 ' HB3' ' OG ' ' A' ' 46' ' ' SER . 8.7 tp-100 -105.71 123.92 48.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.532 0.682 . . . . 3.1000000000000001 110.904 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.593 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.86 -38.72 76.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.919 -1.037 . . . . 1.1299999999999999 112.137 -177.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.508 ' HA ' HD11 ' A' ' 48' ' ' ILE . 28.1 m -78.21 -33.6 49.86 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.267 -0.573 . . . . 1.6699999999999999 112.359 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.467 ' OG ' ' HB3' ' A' ' 43' ' ' GLN . 10.5 p -67.73 -33.99 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.617 -0.883 . . . . 1.6100000000000001 108.617 174.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.7 tm? -57.24 -56.34 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.575 -1.193 . . . . 1.8 109.87 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 44' ' ' ALA . 36.3 mt -55.56 -41.25 63.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.715 -0.675 . . . . 1.54 111.183 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.8 93.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.563 0.697 . . . . 1.1000000000000001 109.806 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.463 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 22.5 t60 -64.7 -42.8 95.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.802 -1.09 . . . . 0.46000000000000002 111.432 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 48' ' ' ILE . 5.2 p -69.54 -28.65 38.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 1.0700000000000001 110.635 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -68.71 -22.76 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 4.7999999999999998 110.474 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.827 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -63.72 -35.19 79.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.222 -0.444 . . . . 2.4100000000000001 110.715 175.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.531 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 44.2 m-70 -76.74 -23.47 53.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.042 -0.526 . . . . 0.63 110.037 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.3 m -65.96 -25.27 67.04 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.364 0.602 . . . . 2.1899999999999999 109.758 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.73 -118.76 5.44 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.639 -0.709 . . . . 2.3300000000000001 112.909 172.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -116.52 142.73 46.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.004 0.43 . . . . 4.4400000000000004 111.131 -175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HZ2' ' HB2' ' A' ' 58' ' ' LYS . 9.2 mtmp? . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.529 -0.748 . . . . 9.1099999999999994 110.191 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 120.712 0.292 . . . . 4.9000000000000004 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.18 120.55 7.52 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.11 1.873 . . . . 3.1099999999999999 110.501 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.6 m -108.08 118.67 37.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.146 0.498 . . . . 2.9399999999999999 110.856 -172.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 18.2 mp0 -115.55 171.45 7.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.314 -0.857 . . . . 2.6899999999999999 109.123 176.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 15.9 t -71.49 89.94 0.97 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.432 -1.321 . . . . 0.29999999999999999 107.432 167.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -50.43 -26.77 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 2.1400000000000001 111.735 -172.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -77.15 -31.7 55.75 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.897 0.703 . . . . 2.52 112.897 -176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.66 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.9 p -121.3 -28.41 4.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.362 -0.935 . . . . 0.35999999999999999 112.166 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.14 -15.28 28.13 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.978 -0.63 . . . . 0.41999999999999998 113.211 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.9 132.73 39.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.019 0.409 . . . . 2.6499999999999999 110.619 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.508 ' HB1' ' HG3' ' A' ' 33' ' ' GLN . . . -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.269 -0.423 . . . . 1.1799999999999999 111.096 -176.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.425 ' HE2' ' CG ' ' A' ' 50' ' ' HIS . 70.4 m-85 -110.24 170.47 8.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.706 -0.479 . . . . 0.81000000000000005 109.706 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.551 HG22 ' HG2' ' A' ' 43' ' ' GLN . 9.3 t -75.82 -39.7 56.28 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.012 -0.275 . . . . 2.2799999999999998 111.25 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.551 ' HG2' HG22 ' A' ' 42' ' ' THR . 30.8 mm-40 -101.46 127.58 48.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 3.1000000000000001 110.717 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.671 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -56.95 -40.89 77.3 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 114.675 -1.148 . . . . 1.1299999999999999 113.33 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.3 m -79.13 -29.14 43.0 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.114 -0.634 . . . . 1.6699999999999999 111.467 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.459 ' HG ' ' HB2' ' A' ' 43' ' ' GLN . 7.7 m -59.2 -43.38 92.25 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.172 -1.047 . . . . 1.6100000000000001 108.172 171.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.5 tm? -56.68 -55.92 27.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.016 -1.447 . . . . 1.8 110.42 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.1 mm -52.6 -44.59 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 1.54 111.469 -178.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.44 94.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.493 0.663 . . . . 1.1000000000000001 110.318 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.429 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 26.1 t60 -64.56 -42.14 95.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.098 -0.956 . . . . 0.46000000000000002 111.374 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -67.05 -27.96 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 1.0700000000000001 110.752 -175.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 5.2 tmm_? -59.39 -28.85 67.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 4.7999999999999998 110.149 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.626 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -62.04 -36.2 80.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.183 -0.462 . . . . 2.4100000000000001 111.405 179.407 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.66 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 49.6 m-70 -79.87 -27.66 40.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.63 109.978 178.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 m -64.87 -49.77 69.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.575 . . . . 2.1899999999999999 109.616 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.44 -152.96 25.73 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.557 -0.747 . . . . 2.3300000000000001 111.647 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.51 153.24 20.51 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.552 0.215 . . . . 4.4400000000000004 110.665 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.3 pttm . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.534 -0.746 . . . . 9.1099999999999994 110.778 179.609 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 14.3 mmmm . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.168 -0.308 . . . . 4.9000000000000004 110.168 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 26.6 Cg_exo -63.15 138.27 66.12 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.738 2.292 . . . . 3.1099999999999999 111.267 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.2 t -108.62 119.39 39.37 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.036 -0.357 . . . . 2.9399999999999999 110.036 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -108.07 140.69 40.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.911 -0.586 . . . . 2.6899999999999999 111.498 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.1 t -69.86 90.1 0.6 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.006 -1.109 . . . . 0.29999999999999999 108.006 167.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 t -47.96 -30.22 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.03 0.443 . . . . 2.1400000000000001 112.024 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.468 ' HE3' HG23 ' A' ' 55' ' ' THR . 1.2 mpt? -69.08 -40.1 78.65 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.472 0.545 . . . . 2.52 112.472 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 18.6 p -120.2 -22.04 6.75 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.472 -0.891 . . . . 0.35999999999999999 112.148 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.1 -7.27 56.84 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.414 -0.422 . . . . 0.41999999999999998 113.203 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.51 128.97 36.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.9 0.35 . . . . 2.6499999999999999 111.118 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.0 133.82 54.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 1.1799999999999999 110.037 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -106.49 173.64 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.214 -0.194 . . . . 0.81000000000000005 111.209 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.0 m -70.34 -40.65 74.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.117 0.485 . . . . 2.2799999999999998 110.668 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -101.1 119.99 39.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 3.1000000000000001 110.507 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.706 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -57.91 -40.64 80.85 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.084 -0.962 . . . . 1.1299999999999999 112.063 -176.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 p -74.83 -33.24 62.14 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.599 -0.441 . . . . 1.6699999999999999 111.234 -176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -38.85 88.79 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.609 -0.886 . . . . 1.6100000000000001 108.609 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.505 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.4 tm? -58.52 -54.1 50.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.712 -1.131 . . . . 1.8 109.949 174.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.706 HG12 ' O ' ' A' ' 44' ' ' ALA . 25.1 mm -52.78 -43.94 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 1.54 111.118 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.396 0.617 . . . . 1.1000000000000001 110.342 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -65.08 -42.14 94.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.983 -1.008 . . . . 0.46000000000000002 111.549 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.551 HG11 ' O ' ' A' ' 48' ' ' ILE . 7.9 p -66.85 -28.46 43.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.006 0.431 . . . . 1.0700000000000001 110.434 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' O ' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.7 -19.65 65.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.692 -0.685 . . . . 4.7999999999999998 110.856 179.219 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -71.68 -37.92 70.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.263 -0.426 . . . . 2.4100000000000001 110.874 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 38.9 m-70 -67.72 -27.55 66.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.63 110.556 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.468 HG23 ' HE3' ' A' ' 36' ' ' MET . 10.7 p -91.78 14.63 14.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.297 0.57 . . . . 2.1899999999999999 110.734 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.44 -80.2 0.85 Allowed Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.39 -0.823 . . . . 2.3300000000000001 111.9 174.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -132.31 176.64 8.24 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.211 -0.495 . . . . 4.4400000000000004 110.517 -174.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.1 mttm . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.207 -0.901 . . . . 9.1099999999999994 110.088 177.089 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 62.8 mttm . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.776 -0.453 . . . . 4.9000000000000004 109.776 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 18.6 Cg_exo -66.83 128.42 18.82 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.282 1.988 . . . . 3.1099999999999999 110.955 174.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 78.2 m -111.1 131.09 55.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.241 0.543 . . . . 2.9399999999999999 111.904 -175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.551 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 11.7 pt20 -127.48 154.14 45.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.276 -0.875 . . . . 2.6899999999999999 108.919 174.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 51' ' ' VAL . 53.1 t -60.14 106.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.934 -0.575 . . . . 0.29999999999999999 109.816 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.44 -19.53 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.272 -0.422 . . . . 2.1400000000000001 111.582 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.408 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 15.2 tpt -85.5 -41.23 15.52 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.47 0.544 . . . . 2.52 112.47 -176.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.2 p -120.26 -1.34 10.28 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.406 -0.918 . . . . 0.35999999999999999 112.275 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.17 15.25 81.76 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.309 -0.472 . . . . 0.41999999999999998 114.101 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -100.87 130.81 46.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.367 0.584 . . . . 2.6499999999999999 110.881 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 33' ' ' GLN . . . -103.58 162.64 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 1.1799999999999999 111.352 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.591 ' HD2' HD23 ' A' ' 47' ' ' LEU . 82.6 m-85 -135.6 151.14 49.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.837 -0.62 . . . . 0.81000000000000005 109.895 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -73.07 -19.62 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 2.2799999999999998 111.001 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -114.68 121.1 42.34 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.236 0.541 . . . . 3.1000000000000001 109.717 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.694 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -52.86 -34.98 56.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.867 -1.06 . . . . 1.1299999999999999 112.191 -177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -76.52 -36.98 57.43 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.634 -0.427 . . . . 1.6699999999999999 111.617 -175.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 m -60.03 -38.8 83.76 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.931 -0.766 . . . . 1.6100000000000001 108.931 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 41' ' ' PHE . 1.3 tm? -56.44 -57.48 12.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.379 -1.282 . . . . 1.8 109.876 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.694 HG12 ' O ' ' A' ' 44' ' ' ALA . 26.8 mm -57.71 -40.94 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.73 . . . . 1.54 110.866 -177.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.02 88.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.405 0.622 . . . . 1.1000000000000001 110.022 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -65.67 -40.7 92.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.953 -1.021 . . . . 0.46000000000000002 111.697 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 48' ' ' ILE . 5.7 p -71.5 -29.27 34.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.889 -0.324 . . . . 1.0700000000000001 110.747 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -69.02 -16.52 63.74 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 120.72 0.295 . . . . 4.7999999999999998 111.051 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.76 -39.0 80.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 2.4100000000000001 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 36.9 m-70 -72.92 -26.04 61.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.6 . . . . 0.63 109.978 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -111.47 22.31 15.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.508 0.671 . . . . 2.1899999999999999 110.219 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.1 -130.86 3.06 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.634 -0.712 . . . . 2.3300000000000001 112.229 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -130.43 157.88 41.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.235 0.54 . . . . 4.4400000000000004 111.71 -174.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.283 -0.865 . . . . 9.1099999999999994 109.193 171.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.017 -0.364 . . . . 4.9000000000000004 110.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HG2' HE22 ' A' ' 33' ' ' GLN . 98.8 Cg_endo -81.26 143.15 13.81 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.348 2.032 . . . . 3.1099999999999999 111.846 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 t -109.26 121.92 46.22 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.846 -0.798 . . . . 2.9399999999999999 108.846 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' HG3' ' HB3' ' A' ' 40' ' ' ALA . 27.0 mp0 -94.17 132.14 39.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.888 0.375 . . . . 2.6899999999999999 111.499 -174.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' HB2' HD11 ' A' ' 47' ' ' LEU . 33.9 t -61.2 102.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.849 -1.167 . . . . 0.29999999999999999 107.849 167.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.5 -13.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 112.554 0.575 . . . . 2.1400000000000001 112.554 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.423 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 26.3 mmt -94.88 -36.28 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.539 0.57 . . . . 2.52 112.539 -175.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.634 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.4 p -121.63 -16.55 7.71 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.642 -0.823 . . . . 0.35999999999999999 112.348 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -20.03 45.21 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.608 -0.806 . . . . 0.41999999999999998 113.777 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 71.8 mmtt -56.81 120.78 8.45 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 117.122 0.461 . . . . 2.6499999999999999 111.576 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . . . -105.12 133.14 50.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.97 -0.559 . . . . 1.1799999999999999 111.0 -177.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.609 ' HD2' HD12 ' A' ' 47' ' ' LEU . 86.4 m-85 -117.92 158.46 24.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.81000000000000005 110.147 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -77.03 -29.29 55.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.883 -0.599 . . . . 2.2799999999999998 110.498 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -108.01 115.79 30.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.835 -0.62 . . . . 3.1000000000000001 109.481 175.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.719 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.81 -27.33 69.1 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.445 -0.798 . . . . 1.1299999999999999 111.437 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -73.88 -38.9 64.27 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.698 -0.401 . . . . 1.6699999999999999 111.449 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 m -62.88 -37.06 85.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.56 -0.904 . . . . 1.6100000000000001 108.56 174.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.609 HD12 ' HD2' ' A' ' 41' ' ' PHE . 53.7 tp -61.86 -39.03 90.47 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.431 -1.259 . . . . 1.8 111.76 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.719 HG12 ' O ' ' A' ' 44' ' ' ALA . 27.1 mm -55.47 -44.1 74.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.762 0.315 . . . . 1.54 111.024 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.12 96.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.558 0.694 . . . . 1.1000000000000001 109.57 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -60.28 -46.2 90.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.712 -1.131 . . . . 0.46000000000000002 111.562 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -69.83 -27.83 34.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.833 0.349 . . . . 1.0700000000000001 111.029 -175.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HA ' ' OG1' ' A' ' 55' ' ' THR . 62.3 ttt180 -64.98 -21.37 66.83 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.167 0.508 . . . . 4.7999999999999998 110.573 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.61 -38.38 90.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.704 -0.68 . . . . 2.4100000000000001 110.852 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.634 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 47.1 m-70 -83.03 -24.59 32.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.63 110.946 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 52' ' ' ARG . 1.3 p -79.63 -8.07 58.96 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.685 -0.406 . . . . 2.1899999999999999 111.572 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.3 -139.69 6.74 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.396 -0.682 . . . . 2.3300000000000001 111.396 173.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.02 158.47 15.41 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 110.136 -0.32 . . . . 4.4400000000000004 110.136 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 tttp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.623 -0.703 . . . . 9.1099999999999994 111.014 -177.089 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.282 -0.266 . . . . 4.9000000000000004 110.282 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -86.24 120.12 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.515 2.144 . . . . 3.1099999999999999 112.14 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.4 m -107.73 119.72 40.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.354 -0.384 . . . . 2.9399999999999999 110.048 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HG2' ' HB1' ' A' ' 40' ' ' ALA . 98.5 mt-30 -106.59 138.12 43.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.738 -0.665 . . . . 2.6899999999999999 110.854 -177.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.565 ' HB2' HD11 ' A' ' 47' ' ' LEU . 49.7 t -59.07 107.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.628 -0.879 . . . . 0.29999999999999999 108.628 169.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.73 -11.52 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 113.264 0.838 . . . . 2.1400000000000001 113.264 -172.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -100.78 -35.15 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.112 0.782 . . . . 2.52 113.112 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.1 p -120.86 -19.15 7.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.314 -0.955 . . . . 0.35999999999999999 112.079 -176.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 -14.63 58.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.41999999999999998 113.318 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 33.4 tptt -54.19 119.24 4.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 117.308 0.554 . . . . 2.6499999999999999 110.863 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HB1' ' HG2' ' A' ' 33' ' ' GLN . . . -106.34 120.34 41.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.525 . . . . 1.1799999999999999 111.266 -177.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' HD2' HD12 ' A' ' 47' ' ' LEU . 77.7 m-85 -106.79 138.1 43.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.469 -0.567 . . . . 0.81000000000000005 109.469 174.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -65.42 -21.53 66.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 2.2799999999999998 111.022 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -111.42 118.88 37.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.366 -0.605 . . . . 3.1000000000000001 109.366 173.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.663 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.75 -38.71 91.63 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.322 -0.854 . . . . 1.1299999999999999 112.197 -172.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.533 ' HA ' HG12 ' A' ' 48' ' ' ILE . 41.3 t -72.3 -28.07 62.86 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.277 -0.569 . . . . 1.6699999999999999 111.684 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 t -64.53 -42.02 96.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.781 -1.192 . . . . 1.6100000000000001 107.781 172.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 34' ' ' CYS . 49.9 tp -61.04 -38.99 88.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.546 -1.206 . . . . 1.8 111.637 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.8 mm -53.52 -43.17 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.775 0.321 . . . . 1.54 111.228 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.31 97.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.437 0.637 . . . . 1.1000000000000001 109.877 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.628 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 16.1 t60 -63.13 -44.5 95.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.905 -1.043 . . . . 0.46000000000000002 111.41 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -67.51 -26.59 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 1.0700000000000001 110.82 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -65.66 -16.75 64.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.184 -0.462 . . . . 4.7999999999999998 111.054 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.628 ' HB3' ' O ' ' A' ' 50' ' ' HIS . 5.5 tt0 -64.02 -37.18 86.48 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 123.106 0.562 . . . . 2.4100000000000001 110.812 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 37.2 m-70 -86.88 -16.38 36.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.795 -0.639 . . . . 0.63 110.724 -174.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 p -99.19 -33.14 10.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.145 0.498 . . . . 2.1899999999999999 111.228 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.37 164.23 13.7 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.905 -0.589 . . . . 2.3300000000000001 112.012 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -115.34 108.49 16.61 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.214 0.53 . . . . 4.4400000000000004 111.142 -175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm . . . . . 0 C--N 1.311 -1.099 0 CA-C-O 118.386 -0.816 . . . . 9.1099999999999994 109.532 175.57 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 13.7 mmmm . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.603 0.239 . . . . 4.9000000000000004 110.55 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 15.7 Cg_exo -69.17 136.26 34.1 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.531 2.154 . . . . 3.1099999999999999 111.236 175.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.4 m -108.95 130.23 55.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.004 0.43 . . . . 2.9399999999999999 110.842 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.525 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 2.3 mp0 -96.92 153.49 17.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.674 -0.694 . . . . 2.6899999999999999 110.005 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.0 t -69.42 95.82 0.84 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.68 -1.23 . . . . 0.29999999999999999 107.68 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -52.56 -18.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.278 0.844 . . . . 2.1400000000000001 113.278 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.9 mmm -91.87 -32.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.94 0.719 . . . . 2.52 112.94 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 15.9 p -121.99 -10.85 8.58 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.285 -0.966 . . . . 0.35999999999999999 112.611 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.91 -9.39 76.78 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 121.145 -0.55 . . . . 0.41999999999999998 113.586 177.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -65.94 132.36 48.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.285 0.543 . . . . 2.6499999999999999 110.936 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HB1' ' HG3' ' A' ' 33' ' ' GLN . . . -120.57 120.88 37.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.935 0.398 . . . . 1.1799999999999999 110.723 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' H ' HD23 ' A' ' 47' ' ' LEU . 77.7 m-85 -98.99 151.26 21.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.81000000000000005 110.487 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -67.44 -20.56 65.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.429 -0.805 . . . . 2.2799999999999998 111.058 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -106.71 117.71 34.77 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.24 -0.652 . . . . 3.1000000000000001 109.24 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.692 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.21 -41.03 99.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 1.1299999999999999 112.228 -175.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -73.74 -31.99 63.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.498 -0.481 . . . . 1.6699999999999999 111.21 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -65.05 -37.66 88.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.435 -0.95 . . . . 1.6100000000000001 108.435 174.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 41' ' ' PHE . 1.6 tm? -58.01 -53.62 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.627 -1.169 . . . . 1.8 110.027 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.692 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.2 mm -53.49 -43.62 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.787 -0.642 . . . . 1.54 111.071 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.32 97.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.619 0.724 . . . . 1.1000000000000001 110.261 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -64.97 -38.57 91.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.94 -1.027 . . . . 0.46000000000000002 111.647 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 48' ' ' ILE . 6.1 p -69.66 -27.62 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.073 -0.392 . . . . 1.0700000000000001 110.851 -176.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -68.33 -18.71 64.57 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.281 -0.418 . . . . 4.7999999999999998 111.11 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.53 -38.58 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 2.4100000000000001 110.745 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 45.2 m-70 -73.19 -16.15 61.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.63 110.321 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 p -109.06 25.74 11.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.256 0.55 . . . . 2.1899999999999999 110.459 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.47 -134.15 2.77 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.326 -0.852 . . . . 2.3300000000000001 112.326 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -97.7 140.93 31.37 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.01 0.433 . . . . 4.4400000000000004 111.229 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.583 ' HZ1' ' HB2' ' A' ' 58' ' ' LYS . 4.9 ttmp? . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.654 -0.689 . . . . 9.1099999999999994 110.171 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 22.1 pttm . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.666 0.269 . . . . 4.9000000000000004 110.678 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 16.6 Cg_exo -67.83 134.36 32.1 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.993 2.462 . . . . 3.1099999999999999 111.953 178.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.5 t -112.0 170.52 8.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.449 . . . . 2.9399999999999999 109.961 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.521 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 20.1 mt-30 -108.75 170.07 8.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.118 -0.492 . . . . 2.6899999999999999 110.178 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' HB2' HD13 ' A' ' 47' ' ' LEU . 41.3 t -55.59 106.84 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.627 -0.879 . . . . 0.29999999999999999 108.627 169.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 m -60.31 -3.99 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 112.683 0.624 . . . . 2.1400000000000001 112.683 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.7 mmt -99.65 -44.95 5.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.716 -0.22 . . . . 2.52 111.554 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 17.3 p -120.29 -22.86 6.39 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 119.762 -0.775 . . . . 0.35999999999999999 112.573 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 -4.35 52.32 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.796 -0.716 . . . . 0.41999999999999998 113.392 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 14.7 tptm -56.95 125.56 23.12 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.275 0.538 . . . . 2.6499999999999999 110.536 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.521 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -106.69 143.85 34.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.383 -0.371 . . . . 1.1799999999999999 111.42 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.744 ' HD2' HD11 ' A' ' 47' ' ' LEU . 75.7 m-85 -136.23 153.71 51.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.946 -0.57 . . . . 0.81000000000000005 109.469 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -81.66 -19.19 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.261 0.553 . . . . 2.2799999999999998 110.435 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.883 HE21 ' HA ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -110.52 119.78 40.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.758 -0.655 . . . . 3.1000000000000001 109.85 177.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.634 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.36 -45.24 95.2 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.924 -1.035 . . . . 1.1299999999999999 113.106 -170.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.711 ' HA ' HG12 ' A' ' 48' ' ' ILE . 63.7 p -81.32 -19.45 42.84 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.868 -0.733 . . . . 1.6699999999999999 111.423 -173.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 m -62.4 -43.31 99.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.821 -1.177 . . . . 1.6100000000000001 107.821 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.744 HD11 ' HD2' ' A' ' 41' ' ' PHE . 50.2 tp -66.1 -37.68 86.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.73 -1.123 . . . . 1.8 111.196 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.711 HG12 ' HA ' ' A' ' 45' ' ' SER . 43.4 mm -57.76 -44.58 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 1.54 110.495 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.06 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.476 0.655 . . . . 1.1000000000000001 109.518 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.89 -51.35 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.894 -1.048 . . . . 0.46000000000000002 111.464 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 48' ' ' ILE . 3.0 p -65.13 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.688 0.28 . . . . 1.0700000000000001 111.116 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -69.91 -17.52 63.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 4.7999999999999998 110.896 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.87 -27.67 67.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.021 0.439 . . . . 2.4100000000000001 111.027 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 46.4 m-70 -77.03 -17.54 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.573 . . . . 0.63 109.905 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -104.29 29.45 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.048 -0.723 . . . . 2.1899999999999999 109.048 171.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.88 -151.85 5.24 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.995 -1.002 . . . . 2.3300000000000001 113.369 -175.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -86.83 167.36 14.44 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.962 -0.619 . . . . 4.4400000000000004 111.087 -174.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.64 -0.695 . . . . 9.1099999999999994 110.192 178.515 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.611 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.3 mp0 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.813 0.339 . . . . 2.1200000000000001 110.43 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.55 97.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.249 -1.019 . . . . 0.29999999999999999 108.249 168.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 p -53.28 -19.95 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.181 0.515 . . . . 1.55 111.731 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.646 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 96.2 mmm -76.8 -50.36 13.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 2.0099999999999998 111.926 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.439 ' SG ' ' HE1' ' A' ' 50' ' ' HIS . 17.3 p -116.92 -16.68 10.54 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.74 -0.784 . . . . 0.35999999999999999 112.491 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.42 2.31 60.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.993 -0.623 . . . . 0.41999999999999998 113.393 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -70.33 119.14 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.235 0.518 . . . . 2.21 110.413 176.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -99.44 146.47 26.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.564 . . . . 0.48999999999999999 110.949 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HD2' HD22 ' A' ' 47' ' ' LEU . 56.9 m-85 -134.06 147.36 50.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.225 0.536 . . . . 0.60999999999999999 110.713 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 42' ' ' THR . 2.1 t -71.38 -16.59 62.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.072 -0.967 . . . . 1.72 111.293 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.92 119.66 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.134 0.492 . . . . 2.4900000000000002 110.428 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.68 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.077 -0.965 . . . . 0.5 112.381 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 m -73.24 -34.79 66.06 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.134 -0.627 . . . . 1.29 111.452 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -63.15 -38.13 89.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.744 -0.836 . . . . 1.1299999999999999 108.744 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.6 tm? -57.76 -54.26 48.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.634 -1.167 . . . . 1.23 110.354 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 44' ' ' ALA . 30.0 mm -52.82 -44.07 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.857 -0.61 . . . . 0.89000000000000001 111.255 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.75 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.377 0.608 . . . . 0.35999999999999999 110.086 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.439 ' HE1' ' SG ' ' A' ' 37' ' ' CYS . 21.3 t-80 -60.87 -47.33 86.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.199 -0.909 . . . . 0.37 111.398 178.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -66.32 -29.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 0.20000000000000001 110.719 -175.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -63.34 -24.08 67.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 4.0999999999999996 110.995 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.27 -39.96 94.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 1.9099999999999999 111.401 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.646 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 37.3 m80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.108 0.48 . . . . 0.63 110.129 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 53.4 mt-30 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.978 0.418 . . . . 2.1200000000000001 110.669 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.63 97.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.111 -1.07 . . . . 0.29999999999999999 108.111 168.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -52.96 -18.93 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.223 0.535 . . . . 1.55 112.006 -174.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.649 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 23.1 mmt -81.1 -40.05 24.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.359 0.503 . . . . 2.0099999999999998 112.359 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' SG ' ' HE1' ' A' ' 50' ' ' HIS . 19.8 p -121.65 -21.16 6.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 119.457 -0.897 . . . . 0.35999999999999999 112.731 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 2.63 55.37 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.792 -0.718 . . . . 0.41999999999999998 113.703 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -79.81 131.6 35.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.34 0.57 . . . . 2.21 110.634 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 0.48999999999999999 111.284 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HD2' HD22 ' A' ' 47' ' ' LEU . 57.3 m-85 -137.59 166.28 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.645 -0.707 . . . . 0.60999999999999999 110.051 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -85.27 -30.47 23.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 1.72 110.169 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.409 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 74.3 mt-30 -103.75 121.98 44.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.766 -0.652 . . . . 2.4900000000000002 110.289 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.757 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.4 -33.75 72.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.217 -0.901 . . . . 0.5 111.939 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 m -77.71 -35.63 51.87 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.578 -0.449 . . . . 1.29 112.001 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 9.1 p -66.51 -32.89 74.53 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.771 -0.825 . . . . 1.1299999999999999 108.771 173.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.51 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.5 tm? -59.12 -54.36 47.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.843 -1.071 . . . . 1.23 109.268 173.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.757 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.9 mm -55.9 -42.72 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.74 -0.664 . . . . 0.89000000000000001 111.233 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.02 83.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.304 0.574 . . . . 0.35999999999999999 109.958 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.418 ' HE1' ' SG ' ' A' ' 37' ' ' CYS . 15.9 t-80 -62.22 -44.32 96.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.956 -1.02 . . . . 0.37 111.503 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 48' ' ' ILE . 4.1 p -70.7 -28.81 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.977 0.418 . . . . 0.20000000000000001 110.691 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -64.59 -24.86 67.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.265 -0.425 . . . . 4.0999999999999996 110.825 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -61.67 -42.13 98.49 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.488 -0.324 . . . . 1.9099999999999999 110.637 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.649 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 38.4 m80 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 121.204 0.526 . . . . 0.63 109.83 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 24.7 mp0 . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 121.11 0.481 . . . . 2.1200000000000001 110.609 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.588 ' HB2' HD11 ' A' ' 47' ' ' LEU . 45.5 t -63.53 93.0 0.07 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.827 -1.175 . . . . 0.29999999999999999 107.827 168.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 t -54.85 -17.96 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.252 0.548 . . . . 1.55 111.53 -173.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.3 mmm -77.52 -40.29 43.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 2.0099999999999998 111.986 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.413 ' SG ' ' HE1' ' A' ' 50' ' ' HIS . 19.3 p -121.85 -30.81 4.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 119.538 -0.865 . . . . 0.35999999999999999 112.619 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.17 -6.56 21.47 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.898 -0.668 . . . . 0.41999999999999998 113.459 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -60.68 123.99 19.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.054 0.427 . . . . 2.21 110.545 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -101.46 128.03 47.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.023 0.44 . . . . 0.48999999999999999 111.17 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.7 ' HD2' HD13 ' A' ' 47' ' ' LEU . 70.3 m-85 -125.43 131.75 52.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.909 -0.587 . . . . 0.60999999999999999 110.33 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -74.67 -19.62 60.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.315 -0.857 . . . . 1.72 110.755 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -100.23 117.17 33.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 2.4900000000000002 109.498 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.635 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.08 -44.85 94.61 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.223 -0.899 . . . . 0.5 112.229 -172.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.719 ' HA ' HG12 ' A' ' 48' ' ' ILE . 19.4 m -81.92 -20.64 38.3 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.895 -0.722 . . . . 1.29 111.51 -172.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -64.66 -41.9 95.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.481 -1.303 . . . . 1.1299999999999999 107.481 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 41' ' ' PHE . 27.5 tp -64.47 -40.74 96.26 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.709 -1.132 . . . . 1.23 111.165 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.719 HG12 ' HA ' ' A' ' 45' ' ' SER . 38.9 mm -52.8 -45.96 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.89000000000000001 110.674 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.66 97.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.399 0.619 . . . . 0.35999999999999999 109.888 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.413 ' HE1' ' SG ' ' A' ' 37' ' ' CYS . 15.3 t-80 -60.75 -48.81 80.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.028 -0.987 . . . . 0.37 111.259 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.447 HG23 ' SG ' ' A' ' 34' ' ' CYS . 1.2 p -66.98 -28.07 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.326 . . . . 0.20000000000000001 110.731 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 52' ' ' ARG . 44.3 ttp180 -65.05 -16.79 63.85 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.151 -0.477 . . . . 4.0999999999999996 110.986 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -69.5 -29.58 67.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.342 0.591 . . . . 1.9099999999999999 109.985 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 71.0 m80 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.363 -0.835 . . . . 0.63 111.408 -177.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.65 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 25.7 mp0 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 108.864 -0.791 . . . . 2.1200000000000001 108.864 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 47' ' ' LEU . 8.8 t -64.7 89.34 0.07 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.14 -1.43 . . . . 0.29999999999999999 107.14 167.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.18 -23.32 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.141 0.423 . . . . 1.55 112.141 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.873 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 14.3 tpt -76.79 -43.03 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.075 0.398 . . . . 2.0099999999999998 112.075 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' HB3' ' NE2' ' A' ' 54' ' ' HIS . 15.5 p -111.84 -20.6 11.98 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 119.405 -0.918 . . . . 0.35999999999999999 111.703 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.23 -14.61 58.23 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.242 -0.504 . . . . 0.41999999999999998 113.456 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 28.6 mmtp -74.06 132.63 42.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.418 0.609 . . . . 2.21 110.741 -176.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.65 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -107.67 130.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.32 -0.4 . . . . 0.48999999999999999 111.481 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.74 ' HD2' HD13 ' A' ' 47' ' ' LEU . 35.2 m-85 -101.35 158.88 15.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.192 0.52 . . . . 0.60999999999999999 110.331 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -79.75 -19.88 47.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 1.72 109.987 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -115.85 118.26 32.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 2.4900000000000002 110.185 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.681 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -64.24 -39.76 94.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.108 -0.951 . . . . 0.5 111.979 -172.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -77.06 -31.45 56.12 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.177 -0.609 . . . . 1.29 111.261 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.5 m -61.45 -40.35 94.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.307 -0.997 . . . . 1.1299999999999999 108.307 171.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.74 HD13 ' HD2' ' A' ' 41' ' ' PHE . 52.6 tp -62.35 -42.4 99.37 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.821 -1.081 . . . . 1.23 111.872 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.681 HG12 ' O ' ' A' ' 44' ' ' ALA . 34.2 mm -56.84 -43.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 0.89000000000000001 110.487 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.59 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.46 0.648 . . . . 0.35999999999999999 109.689 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -63.69 -47.32 81.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.37 111.638 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.8 p -67.22 -28.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.72 0.295 . . . . 0.20000000000000001 110.607 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -59.48 -30.84 68.83 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.985 -0.552 . . . . 4.0999999999999996 110.36 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -63.36 -30.86 71.92 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.957 -0.565 . . . . 1.9099999999999999 111.143 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.873 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 80.3 m80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 0.63 110.065 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.721 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.6 pt20 . . . . . 0 N--CA 1.448 -0.559 0 N-CA-C 109.77 -0.456 . . . . 2.1200000000000001 109.77 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.558 ' HB2' HD11 ' A' ' 47' ' ' LEU . 42.1 t -57.36 104.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.844 . . . . 0.29999999999999999 109.034 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -54.35 -25.14 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 1.55 111.44 -175.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.51 -43.1 40.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.63 . . . . 2.0099999999999998 112.46 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.629 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 22.7 p -120.92 -10.74 9.05 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 119.54 -0.864 . . . . 0.35999999999999999 112.758 -174.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 6.46 74.03 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.808 -0.711 . . . . 0.41999999999999998 113.366 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.629 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.7 mptm? -85.53 119.66 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.078 0.439 . . . . 2.21 110.499 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.721 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -100.57 159.31 15.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 0.48999999999999999 111.255 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HD2' HD13 ' A' ' 47' ' ' LEU . 69.6 m-85 -138.37 162.57 34.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.688 -0.687 . . . . 0.60999999999999999 109.721 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -69.6 -16.58 63.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 1.72 111.622 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -134.54 125.58 27.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 2.4900000000000002 110.398 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.38 -38.29 83.46 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.025 -0.989 . . . . 0.5 112.46 -175.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.485 ' HA ' HG12 ' A' ' 48' ' ' ILE . 4.4 p -74.29 -33.37 63.21 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.304 -0.558 . . . . 1.29 111.847 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -62.8 -38.0 88.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.881 -0.785 . . . . 1.1299999999999999 108.881 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 34' ' ' CYS . 56.5 tp -62.56 -40.18 96.03 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.72 -1.127 . . . . 1.23 111.44 177.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.69 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.0 mm -53.38 -40.33 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.224 -0.444 . . . . 0.89000000000000001 110.793 -177.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 96.0 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.292 0.568 . . . . 0.35999999999999999 109.801 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -59.57 -51.49 69.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.37 111.023 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 48' ' ' ILE . 4.5 p -65.46 -27.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.20000000000000001 111.0 -174.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -68.22 -18.66 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 4.0999999999999996 111.011 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.27 -31.03 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.344 . . . . 1.9099999999999999 111.529 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.9 m80 . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 121.374 0.607 . . . . 0.63 109.996 179.4 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 110.127 -0.323 . . . . 2.1200000000000001 110.127 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' N ' HD21 ' A' ' 47' ' ' LEU . 53.6 t -64.36 93.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.735 -1.209 . . . . 0.29999999999999999 107.735 169.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.3 -15.88 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.2 0.524 . . . . 1.55 111.719 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.406 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 96.0 mmm -77.97 -47.97 17.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.12 -0.491 . . . . 2.0099999999999998 111.757 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.787 ' SG ' ' HG2' ' A' ' 39' ' ' LYS . 17.2 p -122.63 -9.23 8.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.039 0.755 . . . . 0.35999999999999999 113.039 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.99 -4.82 61.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 114.759 0.664 . . . . 0.41999999999999998 114.759 173.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.787 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 73.0 mmtt -63.62 126.76 28.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.991 0.895 . . . . 2.21 110.768 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.94 133.44 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 0.48999999999999999 110.959 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.492 ' HD2' HD22 ' A' ' 47' ' ' LEU . 71.2 m-85 -130.62 136.78 49.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.60999999999999999 110.441 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 p -64.56 -31.45 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.357 -0.838 . . . . 1.72 111.366 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -95.42 119.09 33.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.993 -0.549 . . . . 2.4900000000000002 109.818 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.743 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.71 -34.25 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 0.5 111.469 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 t -75.38 -35.64 61.05 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.543 -0.463 . . . . 1.29 111.263 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -62.35 -38.49 89.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.804 -0.813 . . . . 1.1299999999999999 108.804 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.4 tm? -57.69 -55.4 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.308 -1.314 . . . . 1.23 110.025 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.743 HG12 ' O ' ' A' ' 44' ' ' ALA . 33.3 mm -53.87 -43.53 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 0.89000000000000001 111.149 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.73 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.22 0.534 . . . . 0.35999999999999999 109.935 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -60.2 -49.49 77.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.915 -1.039 . . . . 0.37 111.026 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 48' ' ' ILE . 2.9 p -66.13 -28.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.20000000000000001 110.828 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.63 -24.48 66.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.03 -0.532 . . . . 4.0999999999999996 111.174 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -61.69 -40.62 95.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.937 0.399 . . . . 1.9099999999999999 110.916 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.406 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 45.2 m80 . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.2 0.524 . . . . 0.63 110.095 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 121.045 0.45 . . . . 2.1200000000000001 111.285 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' SG ' HG23 ' A' ' 51' ' ' VAL . 54.1 t -65.47 92.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.837 -1.172 . . . . 0.29999999999999999 107.837 166.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 t -51.44 -21.88 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.152 0.501 . . . . 1.55 111.612 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmt -70.18 -49.0 54.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.44 0.533 . . . . 2.0099999999999998 112.44 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 19.4 p -121.35 -18.08 7.43 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 119.555 -0.858 . . . . 0.35999999999999999 112.597 -174.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.8 0.27 55.21 Favored Glycine 0 C--O 1.229 -0.198 0 C-N-CA 120.902 -0.666 . . . . 0.41999999999999998 113.379 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 27.9 tptt -60.84 119.61 8.56 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 117.152 0.476 . . . . 2.21 110.266 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.28 130.27 53.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.912 0.387 . . . . 0.48999999999999999 111.598 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.09 142.92 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.673 -0.694 . . . . 0.60999999999999999 109.409 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.0 p -82.64 -5.34 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.449 . . . . 1.72 110.711 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -111.05 118.73 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.716 -0.675 . . . . 2.4900000000000002 109.771 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.698 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.88 -35.37 79.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.311 -0.859 . . . . 0.5 112.193 -171.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.1 p -77.1 -37.64 53.89 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.471 -0.492 . . . . 1.29 112.057 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 m -60.44 -38.57 84.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.625 -0.88 . . . . 1.1299999999999999 108.625 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.1 tm? -57.27 -57.6 11.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.289 -1.323 . . . . 1.23 110.272 176.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.1 mm -54.78 -42.26 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.89000000000000001 111.098 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.19 82.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 0.35999999999999999 109.863 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.07 -42.61 99.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.927 -1.033 . . . . 0.37 111.556 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.469 HG23 ' SG ' ' A' ' 34' ' ' CYS . 3.7 p -72.28 -28.89 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.727 -0.215 . . . . 0.20000000000000001 110.556 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -65.4 -21.24 66.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.38 -0.373 . . . . 4.0999999999999996 110.786 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -61.19 -38.8 87.85 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.155 0.502 . . . . 1.9099999999999999 110.272 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 m80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.63 109.682 178.211 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.619 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 28.6 mp0 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.661 0.267 . . . . 2.1200000000000001 111.116 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.602 ' HB2' HD11 ' A' ' 47' ' ' LEU . 42.7 t -57.33 106.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.069 -1.086 . . . . 0.29999999999999999 108.069 168.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 t -51.84 -25.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 123.659 0.599 . . . . 1.55 111.9 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.3 mmm -85.1 -45.78 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.898 0.703 . . . . 2.0099999999999998 112.898 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 15.4 p -116.81 -6.68 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.575 -0.85 . . . . 0.35999999999999999 112.635 -171.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.58 85.87 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.538 -0.839 . . . . 0.41999999999999998 114.126 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 14.0 mptt -74.63 127.86 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.369 0.584 . . . . 2.21 110.662 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -103.51 154.99 18.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.992 0.425 . . . . 0.48999999999999999 111.713 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.609 ' HD2' HD13 ' A' ' 47' ' ' LEU . 58.7 m-85 -138.31 152.7 48.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.627 -0.715 . . . . 0.60999999999999999 109.785 174.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -72.0 -13.26 61.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.643 -0.708 . . . . 1.72 111.274 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -128.41 119.61 25.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.819 -0.628 . . . . 2.4900000000000002 109.857 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.696 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -38.12 82.53 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.328 -0.851 . . . . 0.5 111.778 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.56 ' HA ' HG12 ' A' ' 48' ' ' ILE . 27.9 p -73.5 -36.18 65.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.466 -0.493 . . . . 1.29 111.87 -175.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 m -61.98 -36.57 81.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.575 -0.898 . . . . 1.1299999999999999 108.575 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.609 HD13 ' HD2' ' A' ' 41' ' ' PHE . 61.6 tp -64.0 -37.27 86.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.059 -0.973 . . . . 1.23 111.272 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.696 HG12 ' O ' ' A' ' 44' ' ' ALA . 38.5 mm -57.28 -40.98 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 0.89000000000000001 110.541 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.36 89.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 0.35999999999999999 109.426 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -57.04 -53.37 58.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.98 -1.009 . . . . 0.37 110.946 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.51 HG23 ' SG ' ' A' ' 34' ' ' CYS . 2.9 p -66.57 -26.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 0.20000000000000001 111.266 -173.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -63.61 -18.12 63.59 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.133 -0.485 . . . . 4.0999999999999996 111.207 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.35 -49.19 74.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 1.9099999999999999 110.879 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.9 m80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.617 -0.719 . . . . 0.63 110.239 -176.429 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.9 mp0 . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 120.837 0.351 . . . . 2.1200000000000001 110.613 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.6 t -67.35 93.54 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.857 -1.164 . . . . 0.29999999999999999 107.857 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 35' ' ' VAL . 24.9 t -47.48 -28.58 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.551 0.532 . . . . 1.55 112.008 -174.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.569 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -78.66 -35.92 44.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.156 0.799 . . . . 2.0099999999999998 113.156 -176.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB3' ' NE2' ' A' ' 54' ' ' HIS . 18.0 p -120.39 -23.01 6.28 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.46 -0.896 . . . . 0.35999999999999999 112.361 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.49 0.19 59.52 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.161 -0.542 . . . . 0.41999999999999998 113.591 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -78.16 127.89 32.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.388 0.594 . . . . 2.21 109.709 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -106.78 135.6 48.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.546 -0.297 . . . . 0.48999999999999999 111.208 -176.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -113.83 156.2 24.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.172 -0.467 . . . . 0.60999999999999999 110.381 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -72.85 -25.84 61.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.315 -0.857 . . . . 1.72 111.491 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.402 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 96.8 mt-30 -108.3 118.43 36.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.309 0.576 . . . . 2.4900000000000002 110.281 174.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.746 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -35.41 75.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.101 -0.954 . . . . 0.5 112.091 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -76.06 -34.85 59.61 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.447 0.536 . . . . 1.29 112.447 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 3.0 p -70.22 -31.43 68.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.75 -0.833 . . . . 1.1299999999999999 108.75 175.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.9 tm? -58.63 -52.55 65.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.332 -1.304 . . . . 1.23 110.106 173.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.746 HG12 ' O ' ' A' ' 44' ' ' ALA . 36.4 mm -52.22 -43.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.89000000000000001 111.433 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.17 99.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.562 0.696 . . . . 0.35999999999999999 109.914 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -65.45 -43.53 90.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.689 -1.141 . . . . 0.37 111.45 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.2 p -68.37 -27.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.291 . . . . 0.20000000000000001 110.738 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -63.19 -19.43 64.5 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.105 0.479 . . . . 4.0999999999999996 111.302 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -75.09 -31.85 61.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.154 -0.475 . . . . 1.9099999999999999 110.959 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.569 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 72.5 m80 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.8 -0.637 . . . . 0.63 111.083 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.642 ' N ' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.977 0.418 . . . . 2.1200000000000001 110.617 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' HG23 ' A' ' 51' ' ' VAL . 36.4 t -67.06 93.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.813 -1.18 . . . . 0.29999999999999999 107.813 170.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.73 -12.27 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 1.55 111.705 -172.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -77.55 -44.44 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.464 -0.334 . . . . 2.0099999999999998 111.616 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 17.6 p -120.46 -4.77 9.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 119.543 -0.863 . . . . 0.35999999999999999 112.507 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.41 8.87 85.68 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.224 -0.512 . . . . 0.41999999999999998 113.75 174.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.648 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.6 mptm? -83.6 130.71 34.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.287 0.543 . . . . 2.21 110.548 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -101.36 149.58 23.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 0.48999999999999999 111.238 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.493 ' HD2' HD22 ' A' ' 47' ' ' LEU . 48.6 m-85 -132.39 163.68 28.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.521 . . . . 0.60999999999999999 110.115 175.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -93.39 3.49 55.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.012 -0.54 . . . . 1.72 111.295 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 52.1 mt-30 -135.64 121.94 20.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.009 -0.542 . . . . 2.4900000000000002 109.858 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -56.76 -38.61 72.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.305 -0.861 . . . . 0.5 111.964 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.685 ' HA ' HD12 ' A' ' 48' ' ' ILE . 14.0 m -78.54 -34.65 46.98 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.349 -0.54 . . . . 1.29 112.255 -173.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.422 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 42.0 p -66.42 -33.35 75.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.548 -0.908 . . . . 1.1299999999999999 108.548 175.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.493 HD22 ' HD2' ' A' ' 41' ' ' PHE . 1.2 tm? -58.65 -55.29 37.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.636 -1.166 . . . . 1.23 109.653 173.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 45' ' ' SER . 46.7 mt -53.9 -43.4 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.53 -0.759 . . . . 0.89000000000000001 111.28 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.77 86.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.338 0.589 . . . . 0.35999999999999999 110.24 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -62.06 -40.83 97.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.026 -0.988 . . . . 0.37 111.644 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 48' ' ' ILE . 2.1 p -71.44 -27.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.796 0.331 . . . . 0.20000000000000001 110.74 -174.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -59.94 -23.65 63.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.03 -0.532 . . . . 4.0999999999999996 110.983 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.81 -25.1 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 1.9099999999999999 110.78 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 70.7 m80 . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.496 -0.775 . . . . 0.63 110.462 177.572 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' C ' HD21 ' A' ' 47' ' ' LEU . 4.3 pm0 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.721 0.296 . . . . 2.1200000000000001 110.386 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.57 ' HB2' HD11 ' A' ' 47' ' ' LEU . 47.5 t -63.26 92.25 0.06 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.29999999999999999 109.285 175.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.97 -13.87 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.808 0.337 . . . . 1.55 111.774 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.7 -46.05 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 2.0099999999999998 111.767 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.3 p -121.27 -29.37 4.51 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.744 -0.783 . . . . 0.35999999999999999 112.151 -177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.33 -2.1 25.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.41999999999999998 112.977 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.68 138.82 50.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.213 0.507 . . . . 2.21 110.447 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.1 122.95 39.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.94 0.4 . . . . 0.48999999999999999 111.552 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 67.5 m-85 -107.24 137.27 45.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 0.60999999999999999 109.584 175.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -69.29 -21.52 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 1.72 111.057 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -98.99 119.12 37.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.387 0.613 . . . . 2.4900000000000002 109.716 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.35 -42.14 81.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.784 -1.098 . . . . 0.5 112.682 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.778 ' HA ' HD12 ' A' ' 48' ' ' ILE . 18.1 m -77.62 -29.41 51.82 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.033 -0.667 . . . . 1.29 112.206 -172.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -58.96 -41.03 86.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.109 -1.071 . . . . 1.1299999999999999 108.109 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 34' ' ' CYS . 30.8 tp -66.01 -44.41 84.86 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.59 -1.186 . . . . 1.23 111.379 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 45' ' ' SER . 49.6 mt -55.35 -43.88 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.132 0.491 . . . . 0.89000000000000001 110.388 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.9 98.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.546 0.688 . . . . 0.35999999999999999 109.785 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -64.11 -42.73 96.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.606 -1.179 . . . . 0.37 111.966 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 48' ' ' ILE . 4.0 p -69.01 -28.59 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.794 0.331 . . . . 0.20000000000000001 110.516 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -72.87 -16.49 61.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.039 -0.528 . . . . 4.0999999999999996 110.842 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 1.9099999999999999 110.018 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 76.2 m80 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.219 -0.9 . . . . 0.63 110.766 -177.594 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.621 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.3 mp0 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.096 0.474 . . . . 2.1200000000000001 111.574 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.653 ' HB2' HD11 ' A' ' 47' ' ' LEU . 43.1 t -61.62 94.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.287 -1.005 . . . . 0.29999999999999999 108.287 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -53.99 -20.48 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.033 0.444 . . . . 1.55 111.714 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.9 mmm -73.85 -40.96 62.89 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.201 -0.454 . . . . 2.0099999999999998 112.078 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' SG ' ' HE1' ' A' ' 50' ' ' HIS . 21.3 p -121.29 -30.06 4.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.546 -0.862 . . . . 0.35999999999999999 112.793 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.25 -4.96 25.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.489 -0.862 . . . . 0.41999999999999998 113.4 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -80.77 133.64 35.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.218 0.509 . . . . 2.21 110.692 -179.219 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.621 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -103.69 144.25 31.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 0.48999999999999999 112.58 -171.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.539 ' HE2' ' CD2' ' A' ' 50' ' ' HIS . 34.9 m-85 -130.32 142.89 50.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.349 -0.841 . . . . 0.60999999999999999 109.533 171.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.6 p -73.82 -25.77 60.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 1.72 110.842 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -102.5 120.61 40.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 2.4900000000000002 109.836 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.684 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.1 -42.51 98.64 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.04 -0.982 . . . . 0.5 112.264 -175.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.67 ' HA ' HG12 ' A' ' 48' ' ' ILE . 16.4 m -77.13 -29.16 54.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.037 -0.665 . . . . 1.29 111.731 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -61.05 -40.39 93.46 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 1.1299999999999999 108.297 171.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' A' ' 34' ' ' CYS . 36.7 tp -64.24 -38.48 91.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.998 -1.001 . . . . 1.23 110.889 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.684 HG12 ' O ' ' A' ' 44' ' ' ALA . 41.3 mm -55.52 -43.79 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.911 0.386 . . . . 0.89000000000000001 110.835 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.78 96.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.482 0.658 . . . . 0.35999999999999999 109.889 177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.539 ' CD2' ' HE2' ' A' ' 41' ' ' PHE . 10.6 t-80 -63.68 -44.78 92.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.03 -0.986 . . . . 0.37 111.29 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.548 HG23 ' SG ' ' A' ' 34' ' ' CYS . 1.3 p -70.59 -27.54 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.8 0.333 . . . . 0.20000000000000001 110.515 -177.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -61.32 -26.9 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.301 -0.409 . . . . 4.0999999999999996 110.97 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -61.3 -31.78 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.272 0.558 . . . . 1.9099999999999999 110.716 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.0 m80 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.258 -0.883 . . . . 0.63 110.315 -179.451 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.487 ' N ' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.369 -0.604 . . . . 2.1200000000000001 109.369 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.0 t -63.44 94.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.17 -0.678 . . . . 0.29999999999999999 109.17 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.2 t -49.17 -30.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 123.409 0.443 . . . . 1.55 111.945 -176.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -74.09 -40.55 62.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.043 0.757 . . . . 2.0099999999999998 113.043 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 p -120.66 -7.14 9.65 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.319 -0.952 . . . . 0.35999999999999999 112.253 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.54 -5.97 83.47 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.348 -0.453 . . . . 0.41999999999999998 114.143 174.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 13.1 mptt -85.16 135.81 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.368 0.584 . . . . 2.21 110.414 -176.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . . . -115.59 155.0 28.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.066 0.46 . . . . 0.48999999999999999 111.676 -174.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -126.85 174.3 8.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.60999999999999999 109.993 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 t -79.11 -31.43 44.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.4 . . . . 1.72 111.028 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HB3' ' OG ' ' A' ' 46' ' ' SER . 61.5 tp60 -105.71 123.92 48.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.532 0.682 . . . . 2.4900000000000002 110.904 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.86 -38.72 76.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.919 -1.037 . . . . 0.5 112.137 -177.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.536 ' HA ' HD12 ' A' ' 48' ' ' ILE . 28.1 m -78.21 -33.6 49.86 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.267 -0.573 . . . . 1.29 112.359 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.466 ' OG ' ' HB3' ' A' ' 43' ' ' GLN . 10.5 p -67.73 -33.99 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.617 -0.883 . . . . 1.1299999999999999 108.617 174.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.7 tm? -57.24 -56.34 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.575 -1.193 . . . . 1.23 109.87 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 44' ' ' ALA . 36.3 mt -55.56 -41.25 63.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.715 -0.675 . . . . 0.89000000000000001 111.183 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.8 93.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.563 0.697 . . . . 0.35999999999999999 109.806 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -64.7 -42.8 95.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.802 -1.09 . . . . 0.37 111.432 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 48' ' ' ILE . 5.2 p -69.54 -28.65 38.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 0.20000000000000001 110.635 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -68.71 -22.76 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 4.0999999999999996 110.474 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -63.72 -35.19 79.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.222 -0.444 . . . . 1.9099999999999999 110.715 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 74.4 m80 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.042 -0.526 . . . . 0.63 110.037 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.576 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 18.2 mp0 . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.123 -0.695 . . . . 2.1200000000000001 109.123 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.9 t -71.49 89.94 0.97 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.432 -1.321 . . . . 0.29999999999999999 107.432 167.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -50.43 -26.77 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 1.55 111.735 -172.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -77.15 -31.7 55.75 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.897 0.703 . . . . 2.0099999999999998 112.897 -176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.9 p -121.3 -28.41 4.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.362 -0.935 . . . . 0.35999999999999999 112.166 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.14 -15.28 28.13 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.978 -0.63 . . . . 0.41999999999999998 113.211 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.9 132.73 39.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.019 0.409 . . . . 2.21 110.619 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.269 -0.423 . . . . 0.48999999999999999 111.096 -176.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.47 ' H ' HD23 ' A' ' 47' ' ' LEU . 70.4 m-85 -110.24 170.47 8.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.706 -0.479 . . . . 0.60999999999999999 109.706 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.564 HG23 ' HG2' ' A' ' 43' ' ' GLN . 9.3 t -75.82 -39.7 56.28 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.012 -0.275 . . . . 1.72 111.25 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.564 ' HG2' HG23 ' A' ' 42' ' ' THR . 14.4 mm100 -101.46 127.58 48.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 2.4900000000000002 110.717 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.671 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -56.95 -40.89 77.3 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 114.675 -1.148 . . . . 0.5 113.33 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.3 m -79.13 -29.14 43.0 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.114 -0.634 . . . . 1.29 111.467 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 m -59.2 -43.38 92.25 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.172 -1.047 . . . . 1.1299999999999999 108.172 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 41' ' ' PHE . 1.5 tm? -56.68 -55.92 27.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.016 -1.447 . . . . 1.23 110.42 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.1 mm -52.6 -44.59 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 0.89000000000000001 111.469 -178.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.44 94.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.493 0.663 . . . . 0.35999999999999999 110.318 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.426 ' CG ' ' HE2' ' A' ' 41' ' ' PHE . 10.0 t-80 -64.56 -42.14 95.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.098 -0.956 . . . . 0.37 111.374 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -67.05 -27.96 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 0.20000000000000001 110.752 -175.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 5.2 tmm_? -59.39 -28.85 67.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 4.0999999999999996 110.149 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.04 -36.2 80.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.9099999999999999 111.405 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.661 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 49.6 m-70 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.63 109.978 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 121.312 0.577 . . . . 2.1200000000000001 111.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.1 t -69.86 90.1 0.6 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.006 -1.109 . . . . 0.29999999999999999 108.006 167.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 t -47.96 -30.22 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.03 0.443 . . . . 1.55 112.024 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 36' ' ' MET . 1.2 mpt? -69.08 -40.1 78.65 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.472 0.545 . . . . 2.0099999999999998 112.472 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 p -120.2 -22.04 6.75 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.472 -0.891 . . . . 0.35999999999999999 112.148 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.1 -7.27 56.84 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.414 -0.422 . . . . 0.41999999999999998 113.203 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.51 128.97 36.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.9 0.35 . . . . 2.21 111.118 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.0 133.82 54.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 0.48999999999999999 110.037 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -106.49 173.64 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.214 -0.194 . . . . 0.60999999999999999 111.209 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.0 m -70.34 -40.65 74.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.117 0.485 . . . . 1.72 110.668 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -101.1 119.99 39.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 2.4900000000000002 110.507 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.704 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -57.91 -40.64 80.85 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.084 -0.962 . . . . 0.5 112.063 -176.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 p -74.83 -33.24 62.14 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.599 -0.441 . . . . 1.29 111.234 -176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -38.85 88.79 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.609 -0.886 . . . . 1.1299999999999999 108.609 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.4 tm? -58.52 -54.1 50.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.712 -1.131 . . . . 1.23 109.949 174.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.704 HG12 ' O ' ' A' ' 44' ' ' ALA . 25.1 mm -52.78 -43.94 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 0.89000000000000001 111.118 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.396 0.617 . . . . 0.35999999999999999 110.342 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -65.08 -42.14 94.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.983 -1.008 . . . . 0.37 111.549 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 48' ' ' ILE . 7.9 p -66.85 -28.46 43.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.006 0.431 . . . . 0.20000000000000001 110.434 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.48 ' O ' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.7 -19.65 65.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.692 -0.685 . . . . 4.0999999999999996 110.856 179.219 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -71.68 -37.92 70.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.263 -0.426 . . . . 1.9099999999999999 110.874 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.4 m80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.63 110.556 -179.894 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 11.7 pt20 . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.919 -0.771 . . . . 2.1200000000000001 108.919 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.451 ' SG ' HG23 ' A' ' 51' ' ' VAL . 53.1 t -60.14 106.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.934 -0.575 . . . . 0.29999999999999999 109.816 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.44 -19.53 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.272 -0.422 . . . . 1.55 111.582 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 15.2 tpt -85.5 -41.23 15.52 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.47 0.544 . . . . 2.0099999999999998 112.47 -176.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.2 p -120.26 -1.34 10.28 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.406 -0.918 . . . . 0.35999999999999999 112.275 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.17 15.25 81.76 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.309 -0.472 . . . . 0.41999999999999998 114.101 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -100.87 130.81 46.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.367 0.584 . . . . 2.21 110.881 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . . . -103.58 162.64 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 0.48999999999999999 111.352 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' HD2' HD22 ' A' ' 47' ' ' LEU . 82.6 m-85 -135.6 151.14 49.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.837 -0.62 . . . . 0.60999999999999999 109.895 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -73.07 -19.62 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 1.72 111.001 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -114.68 121.1 42.34 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.236 0.541 . . . . 2.4900000000000002 109.717 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.7 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -52.86 -34.98 56.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.867 -1.06 . . . . 0.5 112.191 -177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -76.52 -36.98 57.43 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.634 -0.427 . . . . 1.29 111.617 -175.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 m -60.03 -38.8 83.76 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.931 -0.766 . . . . 1.1299999999999999 108.931 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.576 HD22 ' HD2' ' A' ' 41' ' ' PHE . 1.3 tm? -56.44 -57.48 12.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.379 -1.282 . . . . 1.23 109.876 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.7 HG12 ' O ' ' A' ' 44' ' ' ALA . 26.8 mm -57.71 -40.94 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.73 . . . . 0.89000000000000001 110.866 -177.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.02 88.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.405 0.622 . . . . 0.35999999999999999 110.022 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -65.67 -40.7 92.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.953 -1.021 . . . . 0.37 111.697 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 48' ' ' ILE . 5.7 p -71.5 -29.27 34.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.889 -0.324 . . . . 0.20000000000000001 110.747 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -69.02 -16.52 63.74 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 120.72 0.295 . . . . 4.0999999999999996 111.051 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.76 -39.0 80.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 1.9099999999999999 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.433 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 36.9 m-70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.6 . . . . 0.63 109.978 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.541 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 27.0 mp0 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.888 0.375 . . . . 2.1200000000000001 111.499 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.582 ' HB2' HD11 ' A' ' 47' ' ' LEU . 33.9 t -61.2 102.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.849 -1.167 . . . . 0.29999999999999999 107.849 167.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.5 -13.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 112.554 0.575 . . . . 1.55 112.554 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.442 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 26.3 mmt -94.88 -36.28 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.539 0.57 . . . . 2.0099999999999998 112.539 -175.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' SG ' ' HG2' ' A' ' 39' ' ' LYS . 15.4 p -121.63 -16.55 7.71 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.642 -0.823 . . . . 0.35999999999999999 112.348 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -20.03 45.21 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.608 -0.806 . . . . 0.41999999999999998 113.777 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 71.8 mmtt -56.81 120.78 8.45 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 117.122 0.461 . . . . 2.21 111.576 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -105.12 133.14 50.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.97 -0.559 . . . . 0.48999999999999999 111.0 -177.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.649 ' HD2' HD13 ' A' ' 47' ' ' LEU . 86.4 m-85 -117.92 158.46 24.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.60999999999999999 110.147 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -77.03 -29.29 55.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.883 -0.599 . . . . 1.72 110.498 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -108.01 115.79 30.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.835 -0.62 . . . . 2.4900000000000002 109.481 175.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.718 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.81 -27.33 69.1 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.445 -0.798 . . . . 0.5 111.437 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -73.88 -38.9 64.27 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.698 -0.401 . . . . 1.29 111.449 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 m -62.88 -37.06 85.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.56 -0.904 . . . . 1.1299999999999999 108.56 174.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.649 HD13 ' HD2' ' A' ' 41' ' ' PHE . 53.7 tp -61.86 -39.03 90.47 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.431 -1.259 . . . . 1.23 111.76 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.718 HG12 ' O ' ' A' ' 44' ' ' ALA . 27.1 mm -55.47 -44.1 74.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.762 0.315 . . . . 0.89000000000000001 111.024 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.12 96.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.558 0.694 . . . . 0.35999999999999999 109.57 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -60.28 -46.2 90.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.712 -1.131 . . . . 0.37 111.562 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -69.83 -27.83 34.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.833 0.349 . . . . 0.20000000000000001 111.029 -175.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -64.98 -21.37 66.83 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.167 0.508 . . . . 4.0999999999999996 110.573 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.61 -38.38 90.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.704 -0.68 . . . . 1.9099999999999999 110.852 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.442 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 56.7 m80 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.63 110.946 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 98.5 mt-30 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.616 0.246 . . . . 2.1200000000000001 110.854 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.594 ' HB2' HD11 ' A' ' 47' ' ' LEU . 49.7 t -59.07 107.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.628 -0.879 . . . . 0.29999999999999999 108.628 169.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.73 -11.52 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 113.264 0.838 . . . . 1.55 113.264 -172.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -100.78 -35.15 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.112 0.782 . . . . 2.0099999999999998 113.112 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -120.86 -19.15 7.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.314 -0.955 . . . . 0.35999999999999999 112.079 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 -14.63 58.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.41999999999999998 113.318 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 33.4 tptt -54.19 119.24 4.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 117.308 0.554 . . . . 2.21 110.863 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -106.34 120.34 41.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.525 . . . . 0.48999999999999999 111.266 -177.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.605 ' HD2' HD13 ' A' ' 47' ' ' LEU . 77.7 m-85 -106.79 138.1 43.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.469 -0.567 . . . . 0.60999999999999999 109.469 174.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -65.42 -21.53 66.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 1.72 111.022 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -111.42 118.88 37.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.366 -0.605 . . . . 2.4900000000000002 109.366 173.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.659 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.75 -38.71 91.63 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.322 -0.854 . . . . 0.5 112.197 -172.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.556 ' HA ' HG12 ' A' ' 48' ' ' ILE . 41.3 t -72.3 -28.07 62.86 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.277 -0.569 . . . . 1.29 111.684 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 t -64.53 -42.02 96.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.781 -1.192 . . . . 1.1299999999999999 107.781 172.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.605 HD13 ' HD2' ' A' ' 41' ' ' PHE . 49.9 tp -61.04 -38.99 88.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.546 -1.206 . . . . 1.23 111.637 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.659 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.8 mm -53.52 -43.17 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.775 0.321 . . . . 0.89000000000000001 111.228 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.31 97.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.437 0.637 . . . . 0.35999999999999999 109.877 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.642 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 16.1 t60 -63.13 -44.5 95.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.905 -1.043 . . . . 0.37 111.41 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -67.51 -26.59 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 0.20000000000000001 110.82 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -65.66 -16.75 64.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.184 -0.462 . . . . 4.0999999999999996 111.054 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.642 ' HB3' ' O ' ' A' ' 50' ' ' HIS . 5.5 tt0 -64.02 -37.18 86.48 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 123.106 0.562 . . . . 1.9099999999999999 110.812 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.0 m80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.795 -0.639 . . . . 0.63 110.724 -174.45 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.561 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 2.3 mp0 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.005 -0.369 . . . . 2.1200000000000001 110.005 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.0 t -69.42 95.82 0.84 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.68 -1.23 . . . . 0.29999999999999999 107.68 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -52.56 -18.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.278 0.844 . . . . 1.55 113.278 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.9 mmm -91.87 -32.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.94 0.719 . . . . 2.0099999999999998 112.94 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 15.9 p -121.99 -10.85 8.58 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.285 -0.966 . . . . 0.35999999999999999 112.611 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.91 -9.39 76.78 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 121.145 -0.55 . . . . 0.41999999999999998 113.586 177.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -65.94 132.36 48.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.285 0.543 . . . . 2.21 110.936 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -120.57 120.88 37.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.935 0.398 . . . . 0.48999999999999999 110.723 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.61 ' H ' HD23 ' A' ' 47' ' ' LEU . 77.7 m-85 -98.99 151.26 21.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.60999999999999999 110.487 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -67.44 -20.56 65.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.429 -0.805 . . . . 1.72 111.058 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -106.71 117.71 34.77 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.24 -0.652 . . . . 2.4900000000000002 109.24 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.686 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.21 -41.03 99.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 0.5 112.228 -175.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -73.74 -31.99 63.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.498 -0.481 . . . . 1.29 111.21 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -65.05 -37.66 88.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.435 -0.95 . . . . 1.1299999999999999 108.435 174.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.61 HD23 ' H ' ' A' ' 41' ' ' PHE . 1.6 tm? -58.01 -53.62 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.627 -1.169 . . . . 1.23 110.027 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.2 mm -53.49 -43.62 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.787 -0.642 . . . . 0.89000000000000001 111.071 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.32 97.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.619 0.724 . . . . 0.35999999999999999 110.261 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -64.97 -38.57 91.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.94 -1.027 . . . . 0.37 111.647 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.1 p -69.66 -27.62 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.073 -0.392 . . . . 0.20000000000000001 110.851 -176.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -68.33 -18.71 64.57 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.281 -0.418 . . . . 4.0999999999999996 111.11 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.53 -38.58 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 1.9099999999999999 110.745 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 63.1 m80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.63 110.321 -179.795 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.614 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 92.8 mt-30 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.178 -0.304 . . . . 2.1200000000000001 110.178 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.595 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.3 t -55.59 106.84 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.627 -0.879 . . . . 0.29999999999999999 108.627 169.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 m -60.31 -3.99 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 112.683 0.624 . . . . 1.55 112.683 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.7 mmt -99.65 -44.95 5.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.716 -0.22 . . . . 2.0099999999999998 111.554 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 17.3 p -120.29 -22.86 6.39 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 119.762 -0.775 . . . . 0.35999999999999999 112.573 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 -4.35 52.32 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.796 -0.716 . . . . 0.41999999999999998 113.392 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 14.7 tptm -56.95 125.56 23.12 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.275 0.538 . . . . 2.21 110.536 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -106.69 143.85 34.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.383 -0.371 . . . . 0.48999999999999999 111.42 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.692 ' HD2' HD13 ' A' ' 47' ' ' LEU . 75.7 m-85 -136.23 153.71 51.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.946 -0.57 . . . . 0.60999999999999999 109.469 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -81.66 -19.19 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.261 0.553 . . . . 1.72 110.435 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -110.52 119.78 40.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.758 -0.655 . . . . 2.4900000000000002 109.85 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.632 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.36 -45.24 95.2 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.924 -1.035 . . . . 0.5 113.106 -170.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.728 ' HA ' HG12 ' A' ' 48' ' ' ILE . 63.7 p -81.32 -19.45 42.84 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.868 -0.733 . . . . 1.29 111.423 -173.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 m -62.4 -43.31 99.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.821 -1.177 . . . . 1.1299999999999999 107.821 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.692 HD13 ' HD2' ' A' ' 41' ' ' PHE . 50.2 tp -66.1 -37.68 86.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.73 -1.123 . . . . 1.23 111.196 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.728 HG12 ' HA ' ' A' ' 45' ' ' SER . 43.4 mm -57.76 -44.58 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.89000000000000001 110.495 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.06 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.476 0.655 . . . . 0.35999999999999999 109.518 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.89 -51.35 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.894 -1.048 . . . . 0.37 111.464 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.0 p -65.13 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.688 0.28 . . . . 0.20000000000000001 111.116 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -69.91 -17.52 63.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 4.0999999999999996 110.896 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.87 -27.67 67.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.021 0.439 . . . . 1.9099999999999999 111.027 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 65.8 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.573 . . . . 0.63 109.905 178.366 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 53.6 tttm . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.311 -0.255 . . . . 4.5700000000000003 110.311 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 31.9 Cg_exo -58.34 122.45 11.7 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.73 2.287 . . . . 2.6899999999999999 111.493 175.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -129.31 172.45 11.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.184 -0.462 . . . . 2.1299999999999999 109.917 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.611 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.3 mp0 -113.68 138.96 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.185 -0.461 . . . . 2.1200000000000001 110.43 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.55 97.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.249 -1.019 . . . . 0.29999999999999999 108.249 168.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 p -53.28 -19.95 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.181 0.515 . . . . 1.55 111.731 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.646 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 96.2 mmm -76.8 -50.36 13.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 2.0099999999999998 111.926 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.3 p -116.92 -16.68 10.54 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.74 -0.784 . . . . 0.35999999999999999 112.491 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.42 2.31 60.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.993 -0.623 . . . . 0.41999999999999998 113.393 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -70.33 119.14 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.235 0.518 . . . . 2.21 110.413 176.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -99.44 146.47 26.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.564 . . . . 0.48999999999999999 110.949 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HD2' HD22 ' A' ' 47' ' ' LEU . 56.9 m-85 -134.06 147.36 50.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.225 0.536 . . . . 0.60999999999999999 110.713 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 42' ' ' THR . 2.1 t -71.38 -16.59 62.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.072 -0.967 . . . . 1.72 111.293 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.92 119.66 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.134 0.492 . . . . 2.4900000000000002 110.428 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.68 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.077 -0.965 . . . . 0.5 112.381 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 m -73.24 -34.79 66.06 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.134 -0.627 . . . . 1.29 111.452 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -63.15 -38.13 89.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.744 -0.836 . . . . 1.1299999999999999 108.744 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.6 tm? -57.76 -54.26 48.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.634 -1.167 . . . . 1.23 110.354 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 44' ' ' ALA . 30.0 mm -52.82 -44.07 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.857 -0.61 . . . . 0.89000000000000001 111.255 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.75 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.377 0.608 . . . . 0.35999999999999999 110.086 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -60.87 -47.33 86.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.199 -0.909 . . . . 0.37 111.398 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -66.32 -29.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 0.20000000000000001 110.719 -175.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -63.34 -24.08 67.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 4.0999999999999996 110.995 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.27 -39.96 94.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 1.9099999999999999 111.401 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.646 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 23.6 m-70 -75.7 -23.92 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.108 0.48 . . . . 0.63 110.129 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.8 m -82.19 -45.86 14.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.831 -0.622 . . . . 1.6299999999999999 110.393 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.7 176.34 17.64 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.576 -0.821 . . . . 2.3300000000000001 112.637 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.75 -172.47 1.57 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.56 -0.32 . . . . 4.4400000000000004 110.499 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.582 -0.723 . . . . 8.7400000000000002 109.733 175.843 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 46.8 mtmt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.216 -0.29 . . . . 4.5700000000000003 110.216 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 8.6 Cg_exo -72.32 118.19 5.49 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.294 1.996 . . . . 2.6899999999999999 110.496 173.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.3 m -115.93 141.68 47.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.158 0.504 . . . . 2.1299999999999999 111.231 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 53.4 mt-30 -112.04 145.38 39.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.391 -0.822 . . . . 2.1200000000000001 110.669 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 51.0 t -59.63 97.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.111 -1.07 . . . . 0.29999999999999999 108.111 168.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -52.96 -18.93 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.223 0.535 . . . . 1.55 112.006 -174.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.649 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 23.1 mmt -81.1 -40.05 24.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.359 0.503 . . . . 2.0099999999999998 112.359 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.515 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 19.8 p -121.65 -21.16 6.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 119.457 -0.897 . . . . 0.35999999999999999 112.731 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 2.63 55.37 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.792 -0.718 . . . . 0.41999999999999998 113.703 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -79.81 131.6 35.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.34 0.57 . . . . 2.21 110.634 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 0.48999999999999999 111.284 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HD2' HD22 ' A' ' 47' ' ' LEU . 57.3 m-85 -137.59 166.28 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.645 -0.707 . . . . 0.60999999999999999 110.051 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -85.27 -30.47 23.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 1.72 110.169 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.409 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 74.3 mt-30 -103.75 121.98 44.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.766 -0.652 . . . . 2.4900000000000002 110.289 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.757 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.4 -33.75 72.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.217 -0.901 . . . . 0.5 111.939 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 m -77.71 -35.63 51.87 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.578 -0.449 . . . . 1.29 112.001 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 9.1 p -66.51 -32.89 74.53 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.771 -0.825 . . . . 1.1299999999999999 108.771 173.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.51 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.5 tm? -59.12 -54.36 47.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.843 -1.071 . . . . 1.23 109.268 173.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.757 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.9 mm -55.9 -42.72 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.74 -0.664 . . . . 0.89000000000000001 111.233 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.02 83.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.304 0.574 . . . . 0.35999999999999999 109.958 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.447 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 15.8 t60 -62.22 -44.32 96.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.956 -1.02 . . . . 0.37 111.503 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 48' ' ' ILE . 4.1 p -70.7 -28.81 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.977 0.418 . . . . 0.20000000000000001 110.691 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -64.59 -24.86 67.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.265 -0.425 . . . . 4.0999999999999996 110.825 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -61.67 -42.13 98.49 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.488 -0.324 . . . . 1.9099999999999999 110.637 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.649 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 19.5 m-70 -75.41 -30.4 60.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.204 0.526 . . . . 0.63 109.83 177.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 m -74.49 -12.89 60.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.437 -0.801 . . . . 1.6299999999999999 110.407 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.46 -116.36 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.439 -0.665 . . . . 2.3300000000000001 111.439 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -97.17 164.94 12.29 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.213 0.53 . . . . 4.4400000000000004 111.1 -178.688 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm . . . . . 0 C--O 1.247 0.953 0 CA-C-N 115.45 -0.795 . . . . 8.7400000000000002 109.946 -174.708 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 22.2 pttp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.52 -0.548 . . . . 4.5700000000000003 109.52 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 30' ' ' LYS . 18.9 Cg_endo -60.06 119.26 6.36 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.423 2.082 . . . . 2.6899999999999999 112.337 -176.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 p -117.65 144.12 45.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.038 -0.528 . . . . 2.1299999999999999 110.523 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 24.7 mp0 -107.5 144.09 34.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.11 0.481 . . . . 2.1200000000000001 110.609 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.588 ' HB2' HD11 ' A' ' 47' ' ' LEU . 45.5 t -63.53 93.0 0.07 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.827 -1.175 . . . . 0.29999999999999999 107.827 168.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 t -54.85 -17.96 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.252 0.548 . . . . 1.55 111.53 -173.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.3 mmm -77.52 -40.29 43.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 2.0099999999999998 111.986 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 19.3 p -121.85 -30.81 4.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 119.538 -0.865 . . . . 0.35999999999999999 112.619 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.17 -6.56 21.47 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.898 -0.668 . . . . 0.41999999999999998 113.459 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -60.68 123.99 19.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.054 0.427 . . . . 2.21 110.545 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -101.46 128.03 47.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.023 0.44 . . . . 0.48999999999999999 111.17 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.7 ' HD2' HD13 ' A' ' 47' ' ' LEU . 70.3 m-85 -125.43 131.75 52.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.909 -0.587 . . . . 0.60999999999999999 110.33 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -74.67 -19.62 60.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.315 -0.857 . . . . 1.72 110.755 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -100.23 117.17 33.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 2.4900000000000002 109.498 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.635 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.08 -44.85 94.61 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.223 -0.899 . . . . 0.5 112.229 -172.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.719 ' HA ' HG12 ' A' ' 48' ' ' ILE . 19.4 m -81.92 -20.64 38.3 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.895 -0.722 . . . . 1.29 111.51 -172.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -64.66 -41.9 95.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.481 -1.303 . . . . 1.1299999999999999 107.481 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 41' ' ' PHE . 27.5 tp -64.47 -40.74 96.26 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.709 -1.132 . . . . 1.23 111.165 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.719 HG12 ' HA ' ' A' ' 45' ' ' SER . 38.9 mm -52.8 -45.96 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.89000000000000001 110.674 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.66 97.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.399 0.619 . . . . 0.35999999999999999 109.888 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -60.75 -48.81 80.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.028 -0.987 . . . . 0.37 111.259 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.447 HG23 ' SG ' ' A' ' 34' ' ' CYS . 1.2 p -66.98 -28.07 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.326 . . . . 0.20000000000000001 110.731 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 55' ' ' THR . 44.3 ttp180 -65.05 -16.79 63.85 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.151 -0.477 . . . . 4.0999999999999996 110.986 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -69.5 -29.58 67.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.342 0.591 . . . . 1.9099999999999999 109.985 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 60.6 m-70 -86.79 -2.76 58.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.363 -0.835 . . . . 0.63 111.408 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 52' ' ' ARG . 3.5 t -72.92 -15.59 61.57 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.29 0.567 . . . . 1.6299999999999999 109.652 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.64 161.46 10.4 Favored Glycine 0 N--CA 1.441 -0.996 0 CA-C-N 115.541 -0.754 . . . . 2.3300000000000001 112.012 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -130.38 172.59 11.69 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.05 -0.575 . . . . 4.4400000000000004 109.469 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.673 -0.68 . . . . 8.7400000000000002 110.366 179.772 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.558 0.218 . . . . 4.5700000000000003 110.434 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.2 119.83 6.94 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.416 2.078 . . . . 2.6899999999999999 110.652 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 p -116.15 139.99 49.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.379 0.609 . . . . 2.1299999999999999 111.498 -175.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.65 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 25.7 mp0 -106.58 161.51 14.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.322 -0.854 . . . . 2.1200000000000001 108.864 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 47' ' ' LEU . 8.8 t -64.7 89.34 0.07 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.14 -1.43 . . . . 0.29999999999999999 107.14 167.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.18 -23.32 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.141 0.423 . . . . 1.55 112.141 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.873 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 14.3 tpt -76.79 -43.03 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.075 0.398 . . . . 2.0099999999999998 112.075 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.5 p -111.84 -20.6 11.98 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 119.405 -0.918 . . . . 0.35999999999999999 111.703 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.23 -14.61 58.23 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.242 -0.504 . . . . 0.41999999999999998 113.456 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 28.6 mmtp -74.06 132.63 42.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.418 0.609 . . . . 2.21 110.741 -176.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.65 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -107.67 130.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.32 -0.4 . . . . 0.48999999999999999 111.481 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.74 ' HD2' HD13 ' A' ' 47' ' ' LEU . 35.2 m-85 -101.35 158.88 15.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.192 0.52 . . . . 0.60999999999999999 110.331 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -79.75 -19.88 47.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 1.72 109.987 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -115.85 118.26 32.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 2.4900000000000002 110.185 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.681 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -64.24 -39.76 94.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.108 -0.951 . . . . 0.5 111.979 -172.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -77.06 -31.45 56.12 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.177 -0.609 . . . . 1.29 111.261 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.5 m -61.45 -40.35 94.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.307 -0.997 . . . . 1.1299999999999999 108.307 171.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.74 HD13 ' HD2' ' A' ' 41' ' ' PHE . 52.6 tp -62.35 -42.4 99.37 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.821 -1.081 . . . . 1.23 111.872 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.681 HG12 ' O ' ' A' ' 44' ' ' ALA . 34.2 mm -56.84 -43.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 0.89000000000000001 110.487 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.59 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.46 0.648 . . . . 0.35999999999999999 109.689 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.429 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 50.7 t60 -63.69 -47.32 81.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.37 111.638 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.8 p -67.22 -28.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.72 0.295 . . . . 0.20000000000000001 110.607 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -59.48 -30.84 68.83 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.985 -0.552 . . . . 4.0999999999999996 110.36 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.547 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 19.6 mm-40 -63.36 -30.86 71.92 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.957 -0.565 . . . . 1.9099999999999999 111.143 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.873 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 71.2 m-70 -80.33 -17.77 51.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 0.63 110.065 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 m -82.55 -3.66 56.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.815 0.817 . . . . 1.6299999999999999 109.399 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.98 -156.87 8.05 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.745 -1.116 . . . . 2.3300000000000001 110.897 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -125.52 101.8 7.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.447 0.642 . . . . 4.4400000000000004 111.652 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.547 ' CD ' ' HB3' ' A' ' 53' ' ' GLN . 3.2 ptmm? . . . . . 0 C--O 1.247 0.935 0 CA-C-N 115.22 -0.9 . . . . 8.7400000000000002 110.155 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.642 0.258 . . . . 4.5700000000000003 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -62.18 130.22 29.79 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.714 1.609 . . . . 2.6899999999999999 109.182 168.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.4 m -106.88 155.15 20.06 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.068 0.461 . . . . 2.1299999999999999 111.247 -168.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.721 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.6 pt20 -110.49 149.25 30.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.441 -0.8 . . . . 2.1200000000000001 109.77 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.558 ' HB2' HD11 ' A' ' 47' ' ' LEU . 42.1 t -57.36 104.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.844 . . . . 0.29999999999999999 109.034 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -54.35 -25.14 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 1.55 111.44 -175.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.51 -43.1 40.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.63 . . . . 2.0099999999999998 112.46 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.629 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 22.7 p -120.92 -10.74 9.05 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 119.54 -0.864 . . . . 0.35999999999999999 112.758 -174.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 6.46 74.03 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.808 -0.711 . . . . 0.41999999999999998 113.366 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.629 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.7 mptm? -85.53 119.66 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.078 0.439 . . . . 2.21 110.499 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.721 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -100.57 159.31 15.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 0.48999999999999999 111.255 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HD2' HD13 ' A' ' 47' ' ' LEU . 69.6 m-85 -138.37 162.57 34.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.688 -0.687 . . . . 0.60999999999999999 109.721 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -69.6 -16.58 63.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 1.72 111.622 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -134.54 125.58 27.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 2.4900000000000002 110.398 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.38 -38.29 83.46 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.025 -0.989 . . . . 0.5 112.46 -175.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.485 ' HA ' HG12 ' A' ' 48' ' ' ILE . 4.4 p -74.29 -33.37 63.21 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.304 -0.558 . . . . 1.29 111.847 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -62.8 -38.0 88.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.881 -0.785 . . . . 1.1299999999999999 108.881 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 34' ' ' CYS . 56.5 tp -62.56 -40.18 96.03 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.72 -1.127 . . . . 1.23 111.44 177.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.69 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.0 mm -53.38 -40.33 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.224 -0.444 . . . . 0.89000000000000001 110.793 -177.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 96.0 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.292 0.568 . . . . 0.35999999999999999 109.801 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -59.57 -51.49 69.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.37 111.023 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 48' ' ' ILE . 4.5 p -65.46 -27.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.20000000000000001 111.0 -174.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -68.22 -18.66 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 4.0999999999999996 111.011 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.27 -31.03 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.344 . . . . 1.9099999999999999 111.529 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.524 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m-70 -73.65 -13.05 60.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.374 0.607 . . . . 0.63 109.996 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -111.89 14.41 20.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.5 -0.773 . . . . 1.6299999999999999 109.439 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.07 173.14 17.23 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.352 -0.84 . . . . 2.3300000000000001 112.046 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -79.86 169.11 18.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.979 0.418 . . . . 4.4400000000000004 111.4 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.846 -0.597 . . . . 8.7400000000000002 110.312 179.659 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 pttt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.676 0.274 . . . . 4.5700000000000003 110.373 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HB3' ' HA ' ' A' ' 42' ' ' THR . 22.6 Cg_exo -65.78 120.33 7.5 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.566 2.177 . . . . 2.6899999999999999 110.744 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.764 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 58.0 m -112.35 162.92 15.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.285 -0.416 . . . . 2.1299999999999999 111.326 -172.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -111.38 137.27 49.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 2.1200000000000001 110.127 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' N ' HD21 ' A' ' 47' ' ' LEU . 53.6 t -64.36 93.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.735 -1.209 . . . . 0.29999999999999999 107.735 169.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.3 -15.88 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.2 0.524 . . . . 1.55 111.719 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.406 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 96.0 mmm -77.97 -47.97 17.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.12 -0.491 . . . . 2.0099999999999998 111.757 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.787 ' SG ' ' HG2' ' A' ' 39' ' ' LYS . 17.2 p -122.63 -9.23 8.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.039 0.755 . . . . 0.35999999999999999 113.039 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.99 -4.82 61.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 114.759 0.664 . . . . 0.41999999999999998 114.759 173.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.787 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 73.0 mmtt -63.62 126.76 28.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.991 0.895 . . . . 2.21 110.768 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.94 133.44 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 0.48999999999999999 110.959 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.492 ' HD2' HD22 ' A' ' 47' ' ' LEU . 71.2 m-85 -130.62 136.78 49.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.60999999999999999 110.441 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.42 ' HA ' ' HB3' ' A' ' 31' ' ' PRO . 2.7 p -64.56 -31.45 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.357 -0.838 . . . . 1.72 111.366 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -95.42 119.09 33.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.993 -0.549 . . . . 2.4900000000000002 109.818 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.743 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.71 -34.25 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 0.5 111.469 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 t -75.38 -35.64 61.05 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.543 -0.463 . . . . 1.29 111.263 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -62.35 -38.49 89.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.804 -0.813 . . . . 1.1299999999999999 108.804 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.764 ' HG ' ' HB2' ' A' ' 32' ' ' CYS . 1.4 tm? -57.69 -55.4 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.308 -1.314 . . . . 1.23 110.025 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.743 HG12 ' O ' ' A' ' 44' ' ' ALA . 33.3 mm -53.87 -43.53 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 0.89000000000000001 111.149 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.73 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.22 0.534 . . . . 0.35999999999999999 109.935 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -60.2 -49.49 77.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.915 -1.039 . . . . 0.37 111.026 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 48' ' ' ILE . 2.9 p -66.13 -28.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.20000000000000001 110.828 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.63 -24.48 66.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.03 -0.532 . . . . 4.0999999999999996 111.174 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -61.69 -40.62 95.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.937 0.399 . . . . 1.9099999999999999 110.916 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.471 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 28.7 m-70 -74.11 -17.71 60.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.2 0.524 . . . . 0.63 110.095 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -91.82 -9.17 44.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.532 0.682 . . . . 1.6299999999999999 110.048 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.14 -128.42 5.68 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.251 -0.886 . . . . 2.3300000000000001 112.258 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -130.29 174.12 10.14 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 110.139 -0.319 . . . . 4.4400000000000004 110.139 -176.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.303 -0.856 . . . . 8.7400000000000002 109.906 173.37 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 25.4 pttm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.775 0.322 . . . . 4.5700000000000003 110.233 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 16.4 Cg_exo -67.66 119.75 6.77 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.733 2.289 . . . . 2.6899999999999999 111.813 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.7 m -108.98 137.32 47.08 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.957 -0.757 . . . . 2.1299999999999999 108.957 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -110.26 136.16 49.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.045 0.45 . . . . 2.1200000000000001 111.285 -176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' SG ' HG23 ' A' ' 51' ' ' VAL . 54.1 t -65.47 92.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.837 -1.172 . . . . 0.29999999999999999 107.837 166.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 t -51.44 -21.88 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.152 0.501 . . . . 1.55 111.612 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmt -70.18 -49.0 54.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.44 0.533 . . . . 2.0099999999999998 112.44 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 19.4 p -121.35 -18.08 7.43 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 119.555 -0.858 . . . . 0.35999999999999999 112.597 -174.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.8 0.27 55.21 Favored Glycine 0 C--O 1.229 -0.198 0 C-N-CA 120.902 -0.666 . . . . 0.41999999999999998 113.379 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 27.9 tptt -60.84 119.61 8.56 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 117.152 0.476 . . . . 2.21 110.266 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.28 130.27 53.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.912 0.387 . . . . 0.48999999999999999 111.598 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.09 142.92 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.673 -0.694 . . . . 0.60999999999999999 109.409 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.0 p -82.64 -5.34 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.449 . . . . 1.72 110.711 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -111.05 118.73 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.716 -0.675 . . . . 2.4900000000000002 109.771 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.698 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.88 -35.37 79.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.311 -0.859 . . . . 0.5 112.193 -171.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.1 p -77.1 -37.64 53.89 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.471 -0.492 . . . . 1.29 112.057 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 m -60.44 -38.57 84.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.625 -0.88 . . . . 1.1299999999999999 108.625 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.1 tm? -57.27 -57.6 11.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.289 -1.323 . . . . 1.23 110.272 176.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.1 mm -54.78 -42.26 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.89000000000000001 111.098 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.19 82.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 0.35999999999999999 109.863 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.07 -42.61 99.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.927 -1.033 . . . . 0.37 111.556 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.469 HG23 ' SG ' ' A' ' 34' ' ' CYS . 3.7 p -72.28 -28.89 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.727 -0.215 . . . . 0.20000000000000001 110.556 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -65.4 -21.24 66.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.38 -0.373 . . . . 4.0999999999999996 110.786 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -61.19 -38.8 87.85 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.155 0.502 . . . . 1.9099999999999999 110.272 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.446 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 34.3 m-70 -75.85 -36.07 59.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.63 109.682 178.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 m -68.3 -40.03 81.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.484 -0.78 . . . . 1.6299999999999999 111.237 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.67 -96.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.276 -0.488 . . . . 2.3300000000000001 112.479 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.01 138.2 50.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.188 0.518 . . . . 4.4400000000000004 110.606 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.538 -0.755 . . . . 8.7400000000000002 110.257 -178.408 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.9 mttm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.589 -0.523 . . . . 4.5700000000000003 109.589 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.67 148.12 86.72 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.437 2.091 . . . . 2.6899999999999999 110.856 174.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.2 t -108.41 137.95 45.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.865 0.364 . . . . 2.1299999999999999 110.243 -176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.619 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 28.6 mp0 -96.14 134.95 38.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.782 -0.645 . . . . 2.1200000000000001 111.116 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.602 ' HB2' HD11 ' A' ' 47' ' ' LEU . 42.7 t -57.33 106.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.069 -1.086 . . . . 0.29999999999999999 108.069 168.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 t -51.84 -25.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 123.659 0.599 . . . . 1.55 111.9 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.3 mmm -85.1 -45.78 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.898 0.703 . . . . 2.0099999999999998 112.898 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.4 p -116.81 -6.68 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.575 -0.85 . . . . 0.35999999999999999 112.635 -171.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.58 85.87 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.538 -0.839 . . . . 0.41999999999999998 114.126 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 14.0 mptt -74.63 127.86 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.369 0.584 . . . . 2.21 110.662 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -103.51 154.99 18.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.992 0.425 . . . . 0.48999999999999999 111.713 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.609 ' HD2' HD13 ' A' ' 47' ' ' LEU . 58.7 m-85 -138.31 152.7 48.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.627 -0.715 . . . . 0.60999999999999999 109.785 174.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -72.0 -13.26 61.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.643 -0.708 . . . . 1.72 111.274 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -128.41 119.61 25.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.819 -0.628 . . . . 2.4900000000000002 109.857 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.696 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -38.12 82.53 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.328 -0.851 . . . . 0.5 111.778 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.56 ' HA ' HG12 ' A' ' 48' ' ' ILE . 27.9 p -73.5 -36.18 65.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.466 -0.493 . . . . 1.29 111.87 -175.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 m -61.98 -36.57 81.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.575 -0.898 . . . . 1.1299999999999999 108.575 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.609 HD13 ' HD2' ' A' ' 41' ' ' PHE . 61.6 tp -64.0 -37.27 86.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.059 -0.973 . . . . 1.23 111.272 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.696 HG12 ' O ' ' A' ' 44' ' ' ALA . 38.5 mm -57.28 -40.98 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 0.89000000000000001 110.541 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.36 89.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 0.35999999999999999 109.426 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -57.04 -53.37 58.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.98 -1.009 . . . . 0.37 110.946 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.51 HG23 ' SG ' ' A' ' 34' ' ' CYS . 2.9 p -66.57 -26.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 0.20000000000000001 111.266 -173.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -63.61 -18.12 63.59 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.133 -0.485 . . . . 4.0999999999999996 111.207 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.35 -49.19 74.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 1.9099999999999999 110.879 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 38.9 m-70 -67.74 -21.2 65.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.617 -0.719 . . . . 0.63 110.239 -176.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -107.77 15.86 24.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.871 -0.604 . . . . 1.6299999999999999 110.672 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -126.07 -123.06 2.64 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.771 -0.728 . . . . 2.3300000000000001 112.217 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -121.58 -179.89 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.89 0.376 . . . . 4.4400000000000004 111.269 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.546 -0.752 . . . . 8.7400000000000002 111.159 179.554 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 110.059 -0.348 . . . . 4.5700000000000003 110.059 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.54 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 32.9 Cg_endo -64.57 133.85 38.7 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.595 2.196 . . . . 2.6899999999999999 112.382 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.9 t -136.01 142.62 44.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.797 -0.638 . . . . 2.1299999999999999 109.304 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.9 mp0 -89.96 134.51 34.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.837 0.351 . . . . 2.1200000000000001 110.613 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 37.6 t -67.35 93.54 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.857 -1.164 . . . . 0.29999999999999999 107.857 168.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 35' ' ' VAL . 24.9 t -47.48 -28.58 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.551 0.532 . . . . 1.55 112.008 -174.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.569 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -78.66 -35.92 44.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.156 0.799 . . . . 2.0099999999999998 113.156 -176.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.666 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 18.0 p -120.39 -23.01 6.28 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.46 -0.896 . . . . 0.35999999999999999 112.361 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.49 0.19 59.52 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.161 -0.542 . . . . 0.41999999999999998 113.591 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -78.16 127.89 32.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.388 0.594 . . . . 2.21 109.709 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -106.78 135.6 48.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.546 -0.297 . . . . 0.48999999999999999 111.208 -176.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 31' ' ' PRO . 48.0 m-85 -113.83 156.2 24.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.172 -0.467 . . . . 0.60999999999999999 110.381 177.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -72.85 -25.84 61.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.315 -0.857 . . . . 1.72 111.491 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.402 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 96.8 mt-30 -108.3 118.43 36.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.309 0.576 . . . . 2.4900000000000002 110.281 174.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.746 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -35.41 75.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.101 -0.954 . . . . 0.5 112.091 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -76.06 -34.85 59.61 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.447 0.536 . . . . 1.29 112.447 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 3.0 p -70.22 -31.43 68.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.75 -0.833 . . . . 1.1299999999999999 108.75 175.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.9 tm? -58.63 -52.55 65.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.332 -1.304 . . . . 1.23 110.106 173.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.746 HG12 ' O ' ' A' ' 44' ' ' ALA . 36.4 mm -52.22 -43.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.89000000000000001 111.433 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.17 99.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.562 0.696 . . . . 0.35999999999999999 109.914 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.509 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 22.0 t60 -65.45 -43.53 90.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.689 -1.141 . . . . 0.37 111.45 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.2 p -68.37 -27.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.291 . . . . 0.20000000000000001 110.738 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -63.19 -19.43 64.5 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.105 0.479 . . . . 4.0999999999999996 111.302 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -75.09 -31.85 61.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.154 -0.475 . . . . 1.9099999999999999 110.959 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.666 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 50.9 m-70 -79.82 0.16 32.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.8 -0.637 . . . . 0.63 111.083 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.5 m -59.02 -27.27 65.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.262 0.553 . . . . 1.6299999999999999 110.459 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.8 -134.91 12.76 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.889 -0.672 . . . . 2.3300000000000001 113.0 172.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -128.33 155.03 45.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.92 0.391 . . . . 4.4400000000000004 110.73 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.952 -1.023 . . . . 8.7400000000000002 109.178 172.365 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.974 -0.38 . . . . 4.5700000000000003 109.974 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.13 128.04 16.92 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.585 2.19 . . . . 2.6899999999999999 111.252 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.548 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 4.2 p -109.45 118.77 37.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.156 0.503 . . . . 2.1299999999999999 110.762 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.583 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 12.3 mp0 -119.2 139.32 52.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.506 -0.77 . . . . 2.1200000000000001 110.617 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' HG23 ' A' ' 51' ' ' VAL . 36.4 t -67.06 93.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.813 -1.18 . . . . 0.29999999999999999 107.813 170.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.73 -12.27 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 1.55 111.705 -172.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -77.55 -44.44 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.464 -0.334 . . . . 2.0099999999999998 111.616 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 17.6 p -120.46 -4.77 9.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 119.543 -0.863 . . . . 0.35999999999999999 112.507 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.41 8.87 85.68 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.224 -0.512 . . . . 0.41999999999999998 113.75 174.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.648 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.6 mptm? -83.6 130.71 34.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.287 0.543 . . . . 2.21 110.548 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -101.36 149.58 23.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 0.48999999999999999 111.238 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' HD2' HD22 ' A' ' 47' ' ' LEU . 48.6 m-85 -132.39 163.68 28.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.521 . . . . 0.60999999999999999 110.115 175.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -93.39 3.49 55.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.012 -0.54 . . . . 1.72 111.295 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 52.1 mt-30 -135.64 121.94 20.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.009 -0.542 . . . . 2.4900000000000002 109.858 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -56.76 -38.61 72.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.305 -0.861 . . . . 0.5 111.964 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.685 ' HA ' HD12 ' A' ' 48' ' ' ILE . 14.0 m -78.54 -34.65 46.98 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.349 -0.54 . . . . 1.29 112.255 -173.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.422 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 42.0 p -66.42 -33.35 75.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.548 -0.908 . . . . 1.1299999999999999 108.548 175.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' A' ' 32' ' ' CYS . 1.2 tm? -58.65 -55.29 37.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.636 -1.166 . . . . 1.23 109.653 173.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 45' ' ' SER . 46.7 mt -53.9 -43.4 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.53 -0.759 . . . . 0.89000000000000001 111.28 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.77 86.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.338 0.589 . . . . 0.35999999999999999 110.24 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.06 -40.83 97.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.026 -0.988 . . . . 0.37 111.644 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 48' ' ' ILE . 2.1 p -71.44 -27.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.796 0.331 . . . . 0.20000000000000001 110.74 -174.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HA ' ' OG1' ' A' ' 55' ' ' THR . 71.7 ttt180 -59.94 -23.65 63.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.03 -0.532 . . . . 4.0999999999999996 110.983 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -69.81 -25.1 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 1.9099999999999999 110.78 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 50.3 m-70 -86.39 -35.39 19.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.496 -0.775 . . . . 0.63 110.462 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 52' ' ' ARG . 20.1 p -78.1 -46.63 20.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.457 . . . . 1.6299999999999999 111.709 -175.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.85 -153.35 6.28 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.716 -0.754 . . . . 2.3300000000000001 111.978 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -130.6 167.28 18.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.628 0.251 . . . . 4.4400000000000004 110.511 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.298 -0.858 . . . . 8.7400000000000002 110.22 -178.534 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 121.075 0.464 . . . . 4.5700000000000003 110.379 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -81.1 156.49 19.98 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.109 2.54 . . . . 2.6899999999999999 112.257 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.6 t -108.13 128.16 54.44 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.673 -0.491 . . . . 2.1299999999999999 109.673 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' C ' HD21 ' A' ' 47' ' ' LEU . 4.3 pm0 -123.63 167.51 13.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.042 -0.526 . . . . 2.1200000000000001 110.386 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.57 ' HB2' HD11 ' A' ' 47' ' ' LEU . 47.5 t -63.26 92.25 0.06 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.29999999999999999 109.285 175.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.97 -13.87 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.808 0.337 . . . . 1.55 111.774 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.7 -46.05 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 2.0099999999999998 111.767 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 p -121.27 -29.37 4.51 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.744 -0.783 . . . . 0.35999999999999999 112.151 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.33 -2.1 25.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.41999999999999998 112.977 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.68 138.82 50.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.213 0.507 . . . . 2.21 110.447 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.1 122.95 39.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.94 0.4 . . . . 0.48999999999999999 111.552 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 67.5 m-85 -107.24 137.27 45.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 0.60999999999999999 109.584 175.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -69.29 -21.52 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 1.72 111.057 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -98.99 119.12 37.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.387 0.613 . . . . 2.4900000000000002 109.716 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.35 -42.14 81.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.784 -1.098 . . . . 0.5 112.682 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.778 ' HA ' HD12 ' A' ' 48' ' ' ILE . 18.1 m -77.62 -29.41 51.82 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.033 -0.667 . . . . 1.29 112.206 -172.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -58.96 -41.03 86.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.109 -1.071 . . . . 1.1299999999999999 108.109 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 34' ' ' CYS . 30.8 tp -66.01 -44.41 84.86 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.59 -1.186 . . . . 1.23 111.379 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 45' ' ' SER . 49.6 mt -55.35 -43.88 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.132 0.491 . . . . 0.89000000000000001 110.388 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.9 98.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.546 0.688 . . . . 0.35999999999999999 109.785 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -64.11 -42.73 96.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.606 -1.179 . . . . 0.37 111.966 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 48' ' ' ILE . 4.0 p -69.01 -28.59 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.794 0.331 . . . . 0.20000000000000001 110.516 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -72.87 -16.49 61.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.039 -0.528 . . . . 4.0999999999999996 110.842 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 1.9099999999999999 110.018 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 73.0 m-70 -78.56 -9.54 59.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.219 -0.9 . . . . 0.63 110.766 -177.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.9 m -69.42 -32.67 71.8 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.382 0.61 . . . . 1.6299999999999999 109.371 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.63 -121.12 3.45 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.667 -0.973 . . . . 2.3300000000000001 110.667 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -130.55 161.93 30.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.762 -0.458 . . . . 4.4400000000000004 109.762 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.573 -0.727 . . . . 8.7400000000000002 109.917 -178.871 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 55.4 mttp . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.661 0.267 . . . . 4.5700000000000003 110.383 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 2.7 Cg_exo -75.06 127.37 10.59 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.761 2.308 . . . . 2.6899999999999999 111.731 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 44' ' ' ALA . 6.9 p -113.36 136.36 52.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.139 -0.482 . . . . 2.1299999999999999 109.947 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.621 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.3 mp0 -93.74 136.21 34.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.096 0.474 . . . . 2.1200000000000001 111.574 -175.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.653 ' HB2' HD11 ' A' ' 47' ' ' LEU . 43.1 t -61.62 94.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.287 -1.005 . . . . 0.29999999999999999 108.287 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -53.99 -20.48 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.033 0.444 . . . . 1.55 111.714 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.9 mmm -73.85 -40.96 62.89 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.201 -0.454 . . . . 2.0099999999999998 112.078 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 21.3 p -121.29 -30.06 4.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.546 -0.862 . . . . 0.35999999999999999 112.793 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.25 -4.96 25.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.489 -0.862 . . . . 0.41999999999999998 113.4 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -80.77 133.64 35.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.218 0.509 . . . . 2.21 110.692 -179.219 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.621 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -103.69 144.25 31.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 0.48999999999999999 112.58 -171.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 34.9 m-85 -130.32 142.89 50.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.349 -0.841 . . . . 0.60999999999999999 109.533 171.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 31' ' ' PRO . 18.6 p -73.82 -25.77 60.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 1.72 110.842 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -102.5 120.61 40.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 2.4900000000000002 109.836 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.684 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.1 -42.51 98.64 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.04 -0.982 . . . . 0.5 112.264 -175.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.67 ' HA ' HG12 ' A' ' 48' ' ' ILE . 16.4 m -77.13 -29.16 54.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.037 -0.665 . . . . 1.29 111.731 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -61.05 -40.39 93.46 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 1.1299999999999999 108.297 171.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' A' ' 34' ' ' CYS . 36.7 tp -64.24 -38.48 91.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.998 -1.001 . . . . 1.23 110.889 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.684 HG12 ' O ' ' A' ' 44' ' ' ALA . 41.3 mm -55.52 -43.79 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.911 0.386 . . . . 0.89000000000000001 110.835 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.78 96.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.482 0.658 . . . . 0.35999999999999999 109.889 177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.68 -44.78 92.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.03 -0.986 . . . . 0.37 111.29 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.548 HG23 ' SG ' ' A' ' 34' ' ' CYS . 1.3 p -70.59 -27.54 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.8 0.333 . . . . 0.20000000000000001 110.515 -177.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -61.32 -26.9 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.301 -0.409 . . . . 4.0999999999999996 110.97 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -61.3 -31.78 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.272 0.558 . . . . 1.9099999999999999 110.716 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 69.4 m-70 -83.24 -19.02 37.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.258 -0.883 . . . . 0.63 110.315 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m -70.53 -38.74 74.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.794 -0.639 . . . . 1.6299999999999999 111.28 -175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.21 -173.46 26.49 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.744 -0.741 . . . . 2.3300000000000001 111.68 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -98.82 173.32 6.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.961 0.41 . . . . 4.4400000000000004 110.943 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 35.0 ttpt . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.434 -0.794 . . . . 8.7400000000000002 110.125 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.5 mttm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.227 -0.286 . . . . 4.5700000000000003 110.227 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.94 120.81 8.13 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.652 2.235 . . . . 2.6899999999999999 112.163 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.1 m -116.32 128.82 55.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.134 0.492 . . . . 2.1299999999999999 111.376 -177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 16.8 pm0 -126.86 153.94 45.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 2.1200000000000001 109.369 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 24.0 t -63.44 94.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.17 -0.678 . . . . 0.29999999999999999 109.17 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.2 t -49.17 -30.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 123.409 0.443 . . . . 1.55 111.945 -176.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -74.09 -40.55 62.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.043 0.757 . . . . 2.0099999999999998 113.043 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.5 p -120.66 -7.14 9.65 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.319 -0.952 . . . . 0.35999999999999999 112.253 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.54 -5.97 83.47 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.348 -0.453 . . . . 0.41999999999999998 114.143 174.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 13.1 mptt -85.16 135.81 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.368 0.584 . . . . 2.21 110.414 -176.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . . . -115.59 155.0 28.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.066 0.46 . . . . 0.48999999999999999 111.676 -174.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -126.85 174.3 8.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.60999999999999999 109.993 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 t -79.11 -31.43 44.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.4 . . . . 1.72 111.028 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HB3' ' OG ' ' A' ' 46' ' ' SER . 61.5 tp60 -105.71 123.92 48.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.532 0.682 . . . . 2.4900000000000002 110.904 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.86 -38.72 76.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.919 -1.037 . . . . 0.5 112.137 -177.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.536 ' HA ' HD12 ' A' ' 48' ' ' ILE . 28.1 m -78.21 -33.6 49.86 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.267 -0.573 . . . . 1.29 112.359 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.466 ' OG ' ' HB3' ' A' ' 43' ' ' GLN . 10.5 p -67.73 -33.99 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.617 -0.883 . . . . 1.1299999999999999 108.617 174.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.7 tm? -57.24 -56.34 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.575 -1.193 . . . . 1.23 109.87 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 44' ' ' ALA . 36.3 mt -55.56 -41.25 63.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.715 -0.675 . . . . 0.89000000000000001 111.183 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.8 93.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.563 0.697 . . . . 0.35999999999999999 109.806 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.455 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 22.5 t60 -64.7 -42.8 95.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.802 -1.09 . . . . 0.37 111.432 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 48' ' ' ILE . 5.2 p -69.54 -28.65 38.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 0.20000000000000001 110.635 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -68.71 -22.76 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 4.0999999999999996 110.474 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -63.72 -35.19 79.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.222 -0.444 . . . . 1.9099999999999999 110.715 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 44.2 m-70 -76.74 -23.47 53.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.042 -0.526 . . . . 0.63 110.037 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.3 m -65.96 -25.27 67.04 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.364 0.602 . . . . 1.6299999999999999 109.758 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.73 -118.76 5.44 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.639 -0.709 . . . . 2.3300000000000001 112.909 172.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -116.52 142.73 46.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.004 0.43 . . . . 4.4400000000000004 111.131 -175.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 9.2 mtmp? . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.529 -0.748 . . . . 8.7400000000000002 110.191 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 120.712 0.292 . . . . 4.5700000000000003 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.18 120.55 7.52 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.11 1.873 . . . . 2.6899999999999999 110.501 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.6 m -108.08 118.67 37.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.146 0.498 . . . . 2.1299999999999999 110.856 -172.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.576 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 18.2 mp0 -115.55 171.45 7.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.314 -0.857 . . . . 2.1200000000000001 109.123 176.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.415 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 15.9 t -71.49 89.94 0.97 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.432 -1.321 . . . . 0.29999999999999999 107.432 167.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -50.43 -26.77 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 1.55 111.735 -172.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -77.15 -31.7 55.75 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.897 0.703 . . . . 2.0099999999999998 112.897 -176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.9 p -121.3 -28.41 4.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.362 -0.935 . . . . 0.35999999999999999 112.166 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.14 -15.28 28.13 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.978 -0.63 . . . . 0.41999999999999998 113.211 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.9 132.73 39.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.019 0.409 . . . . 2.21 110.619 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.269 -0.423 . . . . 0.48999999999999999 111.096 -176.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' H ' HD23 ' A' ' 47' ' ' LEU . 70.4 m-85 -110.24 170.47 8.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.706 -0.479 . . . . 0.60999999999999999 109.706 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.564 HG23 ' HG2' ' A' ' 43' ' ' GLN . 9.3 t -75.82 -39.7 56.28 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.012 -0.275 . . . . 1.72 111.25 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.564 ' HG2' HG23 ' A' ' 42' ' ' THR . 14.4 mm100 -101.46 127.58 48.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 2.4900000000000002 110.717 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.671 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -56.95 -40.89 77.3 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 114.675 -1.148 . . . . 0.5 113.33 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.3 m -79.13 -29.14 43.0 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.114 -0.634 . . . . 1.29 111.467 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 m -59.2 -43.38 92.25 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.172 -1.047 . . . . 1.1299999999999999 108.172 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 41' ' ' PHE . 1.5 tm? -56.68 -55.92 27.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.016 -1.447 . . . . 1.23 110.42 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.1 mm -52.6 -44.59 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 0.89000000000000001 111.469 -178.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.44 94.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.493 0.663 . . . . 0.35999999999999999 110.318 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.426 ' CG ' ' HE2' ' A' ' 41' ' ' PHE . 26.1 t60 -64.56 -42.14 95.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.098 -0.956 . . . . 0.37 111.374 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -67.05 -27.96 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 0.20000000000000001 110.752 -175.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 5.2 tmm_? -59.39 -28.85 67.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 4.0999999999999996 110.149 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.04 -36.2 80.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.9099999999999999 111.405 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.661 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 49.6 m-70 -79.87 -27.66 40.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.63 109.978 178.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 m -64.87 -49.77 69.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.575 . . . . 1.6299999999999999 109.616 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.44 -152.96 25.73 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.557 -0.747 . . . . 2.3300000000000001 111.647 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.51 153.24 20.51 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.552 0.215 . . . . 4.4400000000000004 110.665 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.3 pttm . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.534 -0.746 . . . . 8.7400000000000002 110.778 179.609 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 14.3 mmmm . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.168 -0.308 . . . . 4.5700000000000003 110.168 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 26.6 Cg_exo -63.15 138.27 66.12 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.738 2.292 . . . . 2.6899999999999999 111.267 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.2 t -108.62 119.39 39.37 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.036 -0.357 . . . . 2.1299999999999999 110.036 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -108.07 140.69 40.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.911 -0.586 . . . . 2.1200000000000001 111.498 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.1 t -69.86 90.1 0.6 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.006 -1.109 . . . . 0.29999999999999999 108.006 167.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 t -47.96 -30.22 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.03 0.443 . . . . 1.55 112.024 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 36' ' ' MET . 1.2 mpt? -69.08 -40.1 78.65 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.472 0.545 . . . . 2.0099999999999998 112.472 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 18.6 p -120.2 -22.04 6.75 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.472 -0.891 . . . . 0.35999999999999999 112.148 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.1 -7.27 56.84 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.414 -0.422 . . . . 0.41999999999999998 113.203 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.51 128.97 36.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.9 0.35 . . . . 2.21 111.118 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.0 133.82 54.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 0.48999999999999999 110.037 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -106.49 173.64 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.214 -0.194 . . . . 0.60999999999999999 111.209 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.0 m -70.34 -40.65 74.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.117 0.485 . . . . 1.72 110.668 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -101.1 119.99 39.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 2.4900000000000002 110.507 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.704 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -57.91 -40.64 80.85 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.084 -0.962 . . . . 0.5 112.063 -176.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 p -74.83 -33.24 62.14 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.599 -0.441 . . . . 1.29 111.234 -176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -38.85 88.79 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.609 -0.886 . . . . 1.1299999999999999 108.609 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.4 tm? -58.52 -54.1 50.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.712 -1.131 . . . . 1.23 109.949 174.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.704 HG12 ' O ' ' A' ' 44' ' ' ALA . 25.1 mm -52.78 -43.94 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 0.89000000000000001 111.118 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.396 0.617 . . . . 0.35999999999999999 110.342 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -65.08 -42.14 94.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.983 -1.008 . . . . 0.37 111.549 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 48' ' ' ILE . 7.9 p -66.85 -28.46 43.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.006 0.431 . . . . 0.20000000000000001 110.434 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.48 ' O ' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.7 -19.65 65.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.692 -0.685 . . . . 4.0999999999999996 110.856 179.219 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -71.68 -37.92 70.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.263 -0.426 . . . . 1.9099999999999999 110.874 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 38.9 m-70 -67.72 -27.55 66.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.63 110.556 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.7 p -91.78 14.63 14.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.297 0.57 . . . . 1.6299999999999999 110.734 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.44 -80.2 0.85 Allowed Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.39 -0.823 . . . . 2.3300000000000001 111.9 174.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -132.31 176.64 8.24 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.211 -0.495 . . . . 4.4400000000000004 110.517 -174.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.1 mttm . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.207 -0.901 . . . . 8.7400000000000002 110.088 177.089 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 62.8 mttm . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.776 -0.453 . . . . 4.5700000000000003 109.776 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 18.6 Cg_exo -66.83 128.42 18.82 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.282 1.988 . . . . 2.6899999999999999 110.955 174.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 78.2 m -111.1 131.09 55.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.241 0.543 . . . . 2.1299999999999999 111.904 -175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 11.7 pt20 -127.48 154.14 45.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.276 -0.875 . . . . 2.1200000000000001 108.919 174.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' SG ' HG23 ' A' ' 51' ' ' VAL . 53.1 t -60.14 106.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.934 -0.575 . . . . 0.29999999999999999 109.816 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.44 -19.53 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.272 -0.422 . . . . 1.55 111.582 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 15.2 tpt -85.5 -41.23 15.52 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.47 0.544 . . . . 2.0099999999999998 112.47 -176.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.2 p -120.26 -1.34 10.28 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.406 -0.918 . . . . 0.35999999999999999 112.275 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.17 15.25 81.76 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.309 -0.472 . . . . 0.41999999999999998 114.101 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -100.87 130.81 46.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.367 0.584 . . . . 2.21 110.881 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . . . -103.58 162.64 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 0.48999999999999999 111.352 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' HD2' HD22 ' A' ' 47' ' ' LEU . 82.6 m-85 -135.6 151.14 49.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.837 -0.62 . . . . 0.60999999999999999 109.895 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -73.07 -19.62 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 1.72 111.001 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -114.68 121.1 42.34 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.236 0.541 . . . . 2.4900000000000002 109.717 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.7 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -52.86 -34.98 56.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.867 -1.06 . . . . 0.5 112.191 -177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -76.52 -36.98 57.43 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.634 -0.427 . . . . 1.29 111.617 -175.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 m -60.03 -38.8 83.76 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.931 -0.766 . . . . 1.1299999999999999 108.931 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.576 HD22 ' HD2' ' A' ' 41' ' ' PHE . 1.3 tm? -56.44 -57.48 12.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.379 -1.282 . . . . 1.23 109.876 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.7 HG12 ' O ' ' A' ' 44' ' ' ALA . 26.8 mm -57.71 -40.94 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.73 . . . . 0.89000000000000001 110.866 -177.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.02 88.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.405 0.622 . . . . 0.35999999999999999 110.022 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -65.67 -40.7 92.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.953 -1.021 . . . . 0.37 111.697 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 48' ' ' ILE . 5.7 p -71.5 -29.27 34.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.889 -0.324 . . . . 0.20000000000000001 110.747 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -69.02 -16.52 63.74 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 120.72 0.295 . . . . 4.0999999999999996 111.051 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.76 -39.0 80.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 1.9099999999999999 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.433 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 36.9 m-70 -72.92 -26.04 61.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.6 . . . . 0.63 109.978 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -111.47 22.31 15.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.508 0.671 . . . . 1.6299999999999999 110.219 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.1 -130.86 3.06 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.634 -0.712 . . . . 2.3300000000000001 112.229 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -130.43 157.88 41.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.235 0.54 . . . . 4.4400000000000004 111.71 -174.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.283 -0.865 . . . . 8.7400000000000002 109.193 171.936 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.017 -0.364 . . . . 4.5700000000000003 110.017 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.495 ' HG2' HE22 ' A' ' 33' ' ' GLN . 98.8 Cg_endo -81.26 143.15 13.81 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.348 2.032 . . . . 2.6899999999999999 111.846 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 8.4 t -109.26 121.92 46.22 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.846 -0.798 . . . . 2.1299999999999999 108.846 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.541 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 27.0 mp0 -94.17 132.14 39.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.888 0.375 . . . . 2.1200000000000001 111.499 -174.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.582 ' HB2' HD11 ' A' ' 47' ' ' LEU . 33.9 t -61.2 102.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.849 -1.167 . . . . 0.29999999999999999 107.849 167.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.5 -13.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 112.554 0.575 . . . . 1.55 112.554 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.442 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 26.3 mmt -94.88 -36.28 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.539 0.57 . . . . 2.0099999999999998 112.539 -175.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.632 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.4 p -121.63 -16.55 7.71 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.642 -0.823 . . . . 0.35999999999999999 112.348 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -20.03 45.21 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.608 -0.806 . . . . 0.41999999999999998 113.777 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 71.8 mmtt -56.81 120.78 8.45 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 117.122 0.461 . . . . 2.21 111.576 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -105.12 133.14 50.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.97 -0.559 . . . . 0.48999999999999999 111.0 -177.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.649 ' HD2' HD13 ' A' ' 47' ' ' LEU . 86.4 m-85 -117.92 158.46 24.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.60999999999999999 110.147 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -77.03 -29.29 55.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.883 -0.599 . . . . 1.72 110.498 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -108.01 115.79 30.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.835 -0.62 . . . . 2.4900000000000002 109.481 175.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.718 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.81 -27.33 69.1 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.445 -0.798 . . . . 0.5 111.437 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -73.88 -38.9 64.27 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.698 -0.401 . . . . 1.29 111.449 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 m -62.88 -37.06 85.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.56 -0.904 . . . . 1.1299999999999999 108.56 174.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.649 HD13 ' HD2' ' A' ' 41' ' ' PHE . 53.7 tp -61.86 -39.03 90.47 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.431 -1.259 . . . . 1.23 111.76 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.718 HG12 ' O ' ' A' ' 44' ' ' ALA . 27.1 mm -55.47 -44.1 74.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.762 0.315 . . . . 0.89000000000000001 111.024 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.12 96.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.558 0.694 . . . . 0.35999999999999999 109.57 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -60.28 -46.2 90.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.712 -1.131 . . . . 0.37 111.562 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -69.83 -27.83 34.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.833 0.349 . . . . 0.20000000000000001 111.029 -175.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HA ' ' OG1' ' A' ' 55' ' ' THR . 62.3 ttt180 -64.98 -21.37 66.83 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.167 0.508 . . . . 4.0999999999999996 110.573 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.61 -38.38 90.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.704 -0.68 . . . . 1.9099999999999999 110.852 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.632 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 47.1 m-70 -83.03 -24.59 32.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.63 110.946 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 52' ' ' ARG . 1.3 p -79.63 -8.07 58.96 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.685 -0.406 . . . . 1.6299999999999999 111.572 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.3 -139.69 6.74 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.396 -0.682 . . . . 2.3300000000000001 111.396 173.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.02 158.47 15.41 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 110.136 -0.32 . . . . 4.4400000000000004 110.136 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 tttp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.623 -0.703 . . . . 8.7400000000000002 111.014 -177.089 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.282 -0.266 . . . . 4.5700000000000003 110.282 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -86.24 120.12 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.515 2.144 . . . . 2.6899999999999999 112.14 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.4 m -107.73 119.72 40.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.354 -0.384 . . . . 2.1299999999999999 110.048 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 98.5 mt-30 -106.59 138.12 43.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.738 -0.665 . . . . 2.1200000000000001 110.854 -177.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.594 ' HB2' HD11 ' A' ' 47' ' ' LEU . 49.7 t -59.07 107.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.628 -0.879 . . . . 0.29999999999999999 108.628 169.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.73 -11.52 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 113.264 0.838 . . . . 1.55 113.264 -172.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -100.78 -35.15 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.112 0.782 . . . . 2.0099999999999998 113.112 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.1 p -120.86 -19.15 7.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.314 -0.955 . . . . 0.35999999999999999 112.079 -176.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 -14.63 58.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.41999999999999998 113.318 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 33.4 tptt -54.19 119.24 4.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 117.308 0.554 . . . . 2.21 110.863 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -106.34 120.34 41.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.525 . . . . 0.48999999999999999 111.266 -177.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.605 ' HD2' HD13 ' A' ' 47' ' ' LEU . 77.7 m-85 -106.79 138.1 43.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.469 -0.567 . . . . 0.60999999999999999 109.469 174.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -65.42 -21.53 66.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 1.72 111.022 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -111.42 118.88 37.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.366 -0.605 . . . . 2.4900000000000002 109.366 173.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.659 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.75 -38.71 91.63 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.322 -0.854 . . . . 0.5 112.197 -172.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.556 ' HA ' HG12 ' A' ' 48' ' ' ILE . 41.3 t -72.3 -28.07 62.86 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.277 -0.569 . . . . 1.29 111.684 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 t -64.53 -42.02 96.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.781 -1.192 . . . . 1.1299999999999999 107.781 172.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.605 HD13 ' HD2' ' A' ' 41' ' ' PHE . 49.9 tp -61.04 -38.99 88.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.546 -1.206 . . . . 1.23 111.637 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.659 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.8 mm -53.52 -43.17 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.775 0.321 . . . . 0.89000000000000001 111.228 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.31 97.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.437 0.637 . . . . 0.35999999999999999 109.877 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.642 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 16.1 t60 -63.13 -44.5 95.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.905 -1.043 . . . . 0.37 111.41 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -67.51 -26.59 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 0.20000000000000001 110.82 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -65.66 -16.75 64.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.184 -0.462 . . . . 4.0999999999999996 111.054 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.642 ' HB3' ' O ' ' A' ' 50' ' ' HIS . 5.5 tt0 -64.02 -37.18 86.48 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 123.106 0.562 . . . . 1.9099999999999999 110.812 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 37.2 m-70 -86.88 -16.38 36.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.795 -0.639 . . . . 0.63 110.724 -174.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 p -99.19 -33.14 10.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.145 0.498 . . . . 1.6299999999999999 111.228 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.37 164.23 13.7 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.905 -0.589 . . . . 2.3300000000000001 112.012 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -115.34 108.49 16.61 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.214 0.53 . . . . 4.4400000000000004 111.142 -175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm . . . . . 0 C--N 1.311 -1.099 0 CA-C-O 118.386 -0.816 . . . . 8.7400000000000002 109.532 175.57 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 13.7 mmmm . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.603 0.239 . . . . 4.5700000000000003 110.55 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 15.7 Cg_exo -69.17 136.26 34.1 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.531 2.154 . . . . 2.6899999999999999 111.236 175.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.4 m -108.95 130.23 55.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.004 0.43 . . . . 2.1299999999999999 110.842 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.561 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 2.3 mp0 -96.92 153.49 17.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.674 -0.694 . . . . 2.1200000000000001 110.005 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.0 t -69.42 95.82 0.84 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.68 -1.23 . . . . 0.29999999999999999 107.68 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -52.56 -18.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.278 0.844 . . . . 1.55 113.278 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.9 mmm -91.87 -32.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.94 0.719 . . . . 2.0099999999999998 112.94 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 15.9 p -121.99 -10.85 8.58 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.285 -0.966 . . . . 0.35999999999999999 112.611 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.91 -9.39 76.78 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 121.145 -0.55 . . . . 0.41999999999999998 113.586 177.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -65.94 132.36 48.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.285 0.543 . . . . 2.21 110.936 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -120.57 120.88 37.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.935 0.398 . . . . 0.48999999999999999 110.723 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.61 ' H ' HD23 ' A' ' 47' ' ' LEU . 77.7 m-85 -98.99 151.26 21.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.60999999999999999 110.487 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -67.44 -20.56 65.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.429 -0.805 . . . . 1.72 111.058 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -106.71 117.71 34.77 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.24 -0.652 . . . . 2.4900000000000002 109.24 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.686 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.21 -41.03 99.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 0.5 112.228 -175.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -73.74 -31.99 63.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.498 -0.481 . . . . 1.29 111.21 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -65.05 -37.66 88.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.435 -0.95 . . . . 1.1299999999999999 108.435 174.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.61 HD23 ' H ' ' A' ' 41' ' ' PHE . 1.6 tm? -58.01 -53.62 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.627 -1.169 . . . . 1.23 110.027 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.2 mm -53.49 -43.62 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.787 -0.642 . . . . 0.89000000000000001 111.071 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.32 97.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.619 0.724 . . . . 0.35999999999999999 110.261 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -64.97 -38.57 91.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.94 -1.027 . . . . 0.37 111.647 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.1 p -69.66 -27.62 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.073 -0.392 . . . . 0.20000000000000001 110.851 -176.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -68.33 -18.71 64.57 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.281 -0.418 . . . . 4.0999999999999996 111.11 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.53 -38.58 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 1.9099999999999999 110.745 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 45.2 m-70 -73.19 -16.15 61.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.63 110.321 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 p -109.06 25.74 11.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.256 0.55 . . . . 1.6299999999999999 110.459 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.47 -134.15 2.77 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.326 -0.852 . . . . 2.3300000000000001 112.326 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -97.7 140.93 31.37 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.01 0.433 . . . . 4.4400000000000004 111.229 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.654 -0.689 . . . . 8.7400000000000002 110.171 179.52 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 22.1 pttm . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.666 0.269 . . . . 4.5700000000000003 110.678 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 16.6 Cg_exo -67.83 134.36 32.1 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.993 2.462 . . . . 2.6899999999999999 111.953 178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.5 t -112.0 170.52 8.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.449 . . . . 2.1299999999999999 109.961 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.614 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 92.8 mt-30 -108.75 170.07 8.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.118 -0.492 . . . . 2.1200000000000001 110.178 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.595 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.3 t -55.59 106.84 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.627 -0.879 . . . . 0.29999999999999999 108.627 169.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 m -60.31 -3.99 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 112.683 0.624 . . . . 1.55 112.683 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.7 mmt -99.65 -44.95 5.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.716 -0.22 . . . . 2.0099999999999998 111.554 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB3' ' HE1' ' A' ' 54' ' ' HIS . 17.3 p -120.29 -22.86 6.39 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 119.762 -0.775 . . . . 0.35999999999999999 112.573 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 -4.35 52.32 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.796 -0.716 . . . . 0.41999999999999998 113.392 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 14.7 tptm -56.95 125.56 23.12 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.275 0.538 . . . . 2.21 110.536 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -106.69 143.85 34.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.383 -0.371 . . . . 0.48999999999999999 111.42 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.692 ' HD2' HD13 ' A' ' 47' ' ' LEU . 75.7 m-85 -136.23 153.71 51.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.946 -0.57 . . . . 0.60999999999999999 109.469 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -81.66 -19.19 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.261 0.553 . . . . 1.72 110.435 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -110.52 119.78 40.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.758 -0.655 . . . . 2.4900000000000002 109.85 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.632 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.36 -45.24 95.2 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.924 -1.035 . . . . 0.5 113.106 -170.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.728 ' HA ' HG12 ' A' ' 48' ' ' ILE . 63.7 p -81.32 -19.45 42.84 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.868 -0.733 . . . . 1.29 111.423 -173.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 m -62.4 -43.31 99.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.821 -1.177 . . . . 1.1299999999999999 107.821 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.692 HD13 ' HD2' ' A' ' 41' ' ' PHE . 50.2 tp -66.1 -37.68 86.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.73 -1.123 . . . . 1.23 111.196 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.728 HG12 ' HA ' ' A' ' 45' ' ' SER . 43.4 mm -57.76 -44.58 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.89000000000000001 110.495 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.06 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.476 0.655 . . . . 0.35999999999999999 109.518 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.89 -51.35 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.894 -1.048 . . . . 0.37 111.464 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.0 p -65.13 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.688 0.28 . . . . 0.20000000000000001 111.116 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -69.91 -17.52 63.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 4.0999999999999996 110.896 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.87 -27.67 67.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.021 0.439 . . . . 1.9099999999999999 111.027 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.463 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 46.4 m-70 -77.03 -17.54 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.573 . . . . 0.63 109.905 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -104.29 29.45 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.048 -0.723 . . . . 1.6299999999999999 109.048 171.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.88 -151.85 5.24 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.995 -1.002 . . . . 2.3300000000000001 113.369 -175.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -86.83 167.36 14.44 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.962 -0.619 . . . . 4.4400000000000004 111.087 -174.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.64 -0.695 . . . . 8.7400000000000002 110.192 178.515 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.611 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.3 mp0 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.813 0.339 . . . . 2.12 110.43 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 51.8 t -61.55 97.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.249 -1.019 . . . . 0.3 108.249 168.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 p -53.28 -19.95 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.181 0.515 . . . . 1.55 111.731 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.646 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 96.2 mmm -76.8 -50.36 13.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 2.01 111.926 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.3 p -116.92 -16.68 10.54 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.74 -0.784 . . . . 0.36 112.491 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.42 2.31 60.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.993 -0.623 . . . . 0.42 113.393 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -70.33 119.14 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.235 0.518 . . . . 2.21 110.413 176.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -99.44 146.47 26.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.564 . . . . 0.49 110.949 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HD2' HD22 ' A' ' 47' ' ' LEU . 56.9 m-85 -134.06 147.36 50.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.225 0.536 . . . . 0.61 110.713 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 42' ' ' THR . 2.1 t -71.38 -16.59 62.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.072 -0.967 . . . . 1.72 111.293 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.92 119.66 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.134 0.492 . . . . 2.49 110.428 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.68 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.077 -0.965 . . . . 0.5 112.381 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 m -73.24 -34.79 66.06 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.134 -0.627 . . . . 1.29 111.452 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -63.15 -38.13 89.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.744 -0.836 . . . . 1.13 108.744 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.6 tm? -57.76 -54.26 48.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.634 -1.167 . . . . 1.23 110.354 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 44' ' ' ALA . 30.0 mm -52.82 -44.07 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.857 -0.61 . . . . 0.89 111.255 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.75 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.377 0.608 . . . . 0.36 110.086 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.418 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 25.3 t60 -60.87 -47.33 86.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.199 -0.909 . . . . 0.37 111.398 178.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -66.32 -29.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 0.2 110.719 -175.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -63.34 -24.08 67.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 4.1 110.995 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.27 -39.96 94.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 1.91 111.401 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.646 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 23.6 m-70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.108 0.48 . . . . 0.63 110.129 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 53.4 mt-30 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.978 0.418 . . . . 2.12 110.669 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 51.0 t -59.63 97.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.111 -1.07 . . . . 0.3 108.111 168.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -52.96 -18.93 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.223 0.535 . . . . 1.55 112.006 -174.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.649 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 23.1 mmt -81.1 -40.05 24.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.359 0.503 . . . . 2.01 112.359 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.515 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 19.8 p -121.65 -21.16 6.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 119.457 -0.897 . . . . 0.36 112.731 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 2.63 55.37 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.792 -0.718 . . . . 0.42 113.703 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -79.81 131.6 35.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.34 0.57 . . . . 2.21 110.634 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 0.49 111.284 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HD2' HD22 ' A' ' 47' ' ' LEU . 57.3 m-85 -137.59 166.28 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.645 -0.707 . . . . 0.61 110.051 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -85.27 -30.47 23.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 1.72 110.169 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.409 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 74.3 mt-30 -103.75 121.98 44.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.766 -0.652 . . . . 2.49 110.289 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.757 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.4 -33.75 72.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.217 -0.901 . . . . 0.5 111.939 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 m -77.71 -35.63 51.87 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.578 -0.449 . . . . 1.29 112.001 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 9.1 p -66.51 -32.89 74.53 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.771 -0.825 . . . . 1.13 108.771 173.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.51 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.5 tm? -59.12 -54.36 47.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.843 -1.071 . . . . 1.23 109.268 173.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.757 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.9 mm -55.9 -42.72 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.74 -0.664 . . . . 0.89 111.233 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.02 83.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.304 0.574 . . . . 0.36 109.958 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.454 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 15.8 t60 -62.22 -44.32 96.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.956 -1.02 . . . . 0.37 111.503 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 48' ' ' ILE . 4.1 p -70.7 -28.81 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.977 0.418 . . . . 0.2 110.691 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -64.59 -24.86 67.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.265 -0.425 . . . . 4.1 110.825 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -61.67 -42.13 98.49 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.488 -0.324 . . . . 1.91 110.637 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.649 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 19.5 m-70 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 121.204 0.526 . . . . 0.63 109.83 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 1.5 mp0 . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 121.11 0.481 . . . . 2.12 110.609 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.588 ' HB2' HD11 ' A' ' 47' ' ' LEU . 45.5 t -63.53 93.0 0.07 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.827 -1.175 . . . . 0.3 107.827 168.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 t -54.85 -17.96 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.252 0.548 . . . . 1.55 111.53 -173.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.3 mmm -77.52 -40.29 43.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 2.01 111.986 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 19.3 p -121.85 -30.81 4.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 119.538 -0.865 . . . . 0.36 112.619 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.17 -6.56 21.47 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.898 -0.668 . . . . 0.42 113.459 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -60.68 123.99 19.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.054 0.427 . . . . 2.21 110.545 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -101.46 128.03 47.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.023 0.44 . . . . 0.49 111.17 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.7 ' HD2' HD13 ' A' ' 47' ' ' LEU . 70.3 m-85 -125.43 131.75 52.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.909 -0.587 . . . . 0.61 110.33 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -74.67 -19.62 60.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.315 -0.857 . . . . 1.72 110.755 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -100.23 117.17 33.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 2.49 109.498 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.635 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.08 -44.85 94.61 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.223 -0.899 . . . . 0.5 112.229 -172.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.719 ' HA ' HG12 ' A' ' 48' ' ' ILE . 19.4 m -81.92 -20.64 38.3 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.895 -0.722 . . . . 1.29 111.51 -172.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -64.66 -41.9 95.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.481 -1.303 . . . . 1.13 107.481 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 41' ' ' PHE . 27.5 tp -64.47 -40.74 96.26 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.709 -1.132 . . . . 1.23 111.165 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.719 HG12 ' HA ' ' A' ' 45' ' ' SER . 38.9 mm -52.8 -45.96 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.89 110.674 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.66 97.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.399 0.619 . . . . 0.36 109.888 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -60.75 -48.81 80.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.028 -0.987 . . . . 0.37 111.259 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.447 HG23 ' SG ' ' A' ' 34' ' ' CYS . 1.2 p -66.98 -28.07 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.326 . . . . 0.2 110.731 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 52' ' ' ARG . 44.3 ttp180 -65.05 -16.79 63.85 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.151 -0.477 . . . . 4.1 110.986 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -69.5 -29.58 67.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.342 0.591 . . . . 1.91 109.985 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 60.6 m-70 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.363 -0.835 . . . . 0.63 111.408 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.65 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 1.6 mp0 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 108.864 -0.791 . . . . 2.12 108.864 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 47' ' ' LEU . 8.8 t -64.7 89.34 0.07 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.14 -1.43 . . . . 0.3 107.14 167.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.18 -23.32 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.141 0.423 . . . . 1.55 112.141 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.873 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 14.3 tpt -76.79 -43.03 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.075 0.398 . . . . 2.01 112.075 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.646 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.5 p -111.84 -20.6 11.98 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 119.405 -0.918 . . . . 0.36 111.703 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.23 -14.61 58.23 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.242 -0.504 . . . . 0.42 113.456 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 28.6 mmtp -74.06 132.63 42.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.418 0.609 . . . . 2.21 110.741 -176.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.65 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -107.67 130.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.32 -0.4 . . . . 0.49 111.481 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.74 ' HD2' HD13 ' A' ' 47' ' ' LEU . 35.2 m-85 -101.35 158.88 15.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.192 0.52 . . . . 0.61 110.331 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -79.75 -19.88 47.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 1.72 109.987 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -115.85 118.26 32.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 2.49 110.185 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.681 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -64.24 -39.76 94.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.108 -0.951 . . . . 0.5 111.979 -172.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -77.06 -31.45 56.12 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.177 -0.609 . . . . 1.29 111.261 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.5 m -61.45 -40.35 94.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.307 -0.997 . . . . 1.13 108.307 171.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.74 HD13 ' HD2' ' A' ' 41' ' ' PHE . 52.6 tp -62.35 -42.4 99.37 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.821 -1.081 . . . . 1.23 111.872 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.681 HG12 ' O ' ' A' ' 44' ' ' ALA . 34.2 mm -56.84 -43.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 0.89 110.487 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.59 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.46 0.648 . . . . 0.36 109.689 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.475 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 50.7 t60 -63.69 -47.32 81.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.37 111.638 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.8 p -67.22 -28.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.72 0.295 . . . . 0.2 110.607 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -59.48 -30.84 68.83 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.985 -0.552 . . . . 4.1 110.36 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.811 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -63.36 -30.86 71.92 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.957 -0.565 . . . . 1.91 111.143 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.873 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 71.2 m-70 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 0.63 110.065 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.721 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.6 pt20 . . . . . 0 N--CA 1.448 -0.559 0 N-CA-C 109.77 -0.456 . . . . 2.12 109.77 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.558 ' HB2' HD11 ' A' ' 47' ' ' LEU . 42.1 t -57.36 104.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.844 . . . . 0.3 109.034 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -54.35 -25.14 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 1.55 111.44 -175.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.51 -43.1 40.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.63 . . . . 2.01 112.46 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.629 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 22.7 p -120.92 -10.74 9.05 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 119.54 -0.864 . . . . 0.36 112.758 -174.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 6.46 74.03 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.808 -0.711 . . . . 0.42 113.366 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.629 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.7 mptm? -85.53 119.66 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.078 0.439 . . . . 2.21 110.499 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.721 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -100.57 159.31 15.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 0.49 111.255 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HD2' HD13 ' A' ' 47' ' ' LEU . 69.6 m-85 -138.37 162.57 34.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.688 -0.687 . . . . 0.61 109.721 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -69.6 -16.58 63.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 1.72 111.622 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -134.54 125.58 27.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 2.49 110.398 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.38 -38.29 83.46 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.025 -0.989 . . . . 0.5 112.46 -175.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.485 ' HA ' HG12 ' A' ' 48' ' ' ILE . 4.4 p -74.29 -33.37 63.21 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.304 -0.558 . . . . 1.29 111.847 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -62.8 -38.0 88.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.881 -0.785 . . . . 1.13 108.881 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 34' ' ' CYS . 56.5 tp -62.56 -40.18 96.03 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.72 -1.127 . . . . 1.23 111.44 177.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.69 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.0 mm -53.38 -40.33 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.224 -0.444 . . . . 0.89 110.793 -177.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 96.0 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.292 0.568 . . . . 0.36 109.801 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -59.57 -51.49 69.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.37 111.023 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 48' ' ' ILE . 4.5 p -65.46 -27.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.2 111.0 -174.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -68.22 -18.66 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 4.1 111.011 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.27 -31.03 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.344 . . . . 1.91 111.529 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.524 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m-70 . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 121.374 0.607 . . . . 0.63 109.996 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 110.127 -0.323 . . . . 2.12 110.127 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' N ' HD21 ' A' ' 47' ' ' LEU . 53.6 t -64.36 93.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.735 -1.209 . . . . 0.3 107.735 169.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.3 -15.88 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.2 0.524 . . . . 1.55 111.719 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.406 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 96.0 mmm -77.97 -47.97 17.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.12 -0.491 . . . . 2.01 111.757 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.787 ' SG ' ' HG2' ' A' ' 39' ' ' LYS . 17.2 p -122.63 -9.23 8.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.039 0.755 . . . . 0.36 113.039 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.99 -4.82 61.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 114.759 0.664 . . . . 0.42 114.759 173.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.787 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 73.0 mmtt -63.62 126.76 28.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.991 0.895 . . . . 2.21 110.768 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.94 133.44 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 0.49 110.959 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.492 ' HD2' HD22 ' A' ' 47' ' ' LEU . 71.2 m-85 -130.62 136.78 49.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.61 110.441 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 p -64.56 -31.45 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.357 -0.838 . . . . 1.72 111.366 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -95.42 119.09 33.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.993 -0.549 . . . . 2.49 109.818 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.743 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.71 -34.25 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 0.5 111.469 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 t -75.38 -35.64 61.05 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.543 -0.463 . . . . 1.29 111.263 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -62.35 -38.49 89.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.804 -0.813 . . . . 1.13 108.804 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.4 tm? -57.69 -55.4 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.308 -1.314 . . . . 1.23 110.025 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.743 HG12 ' O ' ' A' ' 44' ' ' ALA . 33.3 mm -53.87 -43.53 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 0.89 111.149 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.73 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.22 0.534 . . . . 0.36 109.935 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -60.2 -49.49 77.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.915 -1.039 . . . . 0.37 111.026 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 48' ' ' ILE . 2.9 p -66.13 -28.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.2 110.828 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.63 -24.48 66.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.03 -0.532 . . . . 4.1 111.174 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -61.69 -40.62 95.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.937 0.399 . . . . 1.91 110.916 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.471 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 28.7 m-70 . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.2 0.524 . . . . 0.63 110.095 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 121.045 0.45 . . . . 2.12 111.285 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' SG ' HG23 ' A' ' 51' ' ' VAL . 54.1 t -65.47 92.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.837 -1.172 . . . . 0.3 107.837 166.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 t -51.44 -21.88 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.152 0.501 . . . . 1.55 111.612 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmt -70.18 -49.0 54.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.44 0.533 . . . . 2.01 112.44 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 19.4 p -121.35 -18.08 7.43 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 119.555 -0.858 . . . . 0.36 112.597 -174.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.8 0.27 55.21 Favored Glycine 0 C--O 1.229 -0.198 0 C-N-CA 120.902 -0.666 . . . . 0.42 113.379 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 27.9 tptt -60.84 119.61 8.56 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 117.152 0.476 . . . . 2.21 110.266 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.28 130.27 53.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.912 0.387 . . . . 0.49 111.598 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.09 142.92 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.673 -0.694 . . . . 0.61 109.409 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.0 p -82.64 -5.34 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.449 . . . . 1.72 110.711 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -111.05 118.73 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.716 -0.675 . . . . 2.49 109.771 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.698 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.88 -35.37 79.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.311 -0.859 . . . . 0.5 112.193 -171.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.1 p -77.1 -37.64 53.89 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.471 -0.492 . . . . 1.29 112.057 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 m -60.44 -38.57 84.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.625 -0.88 . . . . 1.13 108.625 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.1 tm? -57.27 -57.6 11.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.289 -1.323 . . . . 1.23 110.272 176.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.1 mm -54.78 -42.26 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.89 111.098 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.19 82.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 0.36 109.863 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.07 -42.61 99.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.927 -1.033 . . . . 0.37 111.556 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.469 HG23 ' SG ' ' A' ' 34' ' ' CYS . 3.7 p -72.28 -28.89 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.727 -0.215 . . . . 0.2 110.556 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -65.4 -21.24 66.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.38 -0.373 . . . . 4.1 110.786 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -61.19 -38.8 87.85 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.155 0.502 . . . . 1.91 110.272 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.446 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 34.3 m-70 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.63 109.682 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.619 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 2.2 mp0 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.661 0.267 . . . . 2.12 111.116 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.602 ' HB2' HD11 ' A' ' 47' ' ' LEU . 42.7 t -57.33 106.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.069 -1.086 . . . . 0.3 108.069 168.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 t -51.84 -25.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 123.659 0.599 . . . . 1.55 111.9 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.3 mmm -85.1 -45.78 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.898 0.703 . . . . 2.01 112.898 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.4 p -116.81 -6.68 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.575 -0.85 . . . . 0.36 112.635 -171.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.58 85.87 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.538 -0.839 . . . . 0.42 114.126 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 14.0 mptt -74.63 127.86 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.369 0.584 . . . . 2.21 110.662 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -103.51 154.99 18.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.992 0.425 . . . . 0.49 111.713 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.609 ' HD2' HD13 ' A' ' 47' ' ' LEU . 58.7 m-85 -138.31 152.7 48.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.627 -0.715 . . . . 0.61 109.785 174.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -72.0 -13.26 61.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.643 -0.708 . . . . 1.72 111.274 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -128.41 119.61 25.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.819 -0.628 . . . . 2.49 109.857 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.696 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -38.12 82.53 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.328 -0.851 . . . . 0.5 111.778 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.56 ' HA ' HG12 ' A' ' 48' ' ' ILE . 27.9 p -73.5 -36.18 65.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.466 -0.493 . . . . 1.29 111.87 -175.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 m -61.98 -36.57 81.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.575 -0.898 . . . . 1.13 108.575 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.609 HD13 ' HD2' ' A' ' 41' ' ' PHE . 61.6 tp -64.0 -37.27 86.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.059 -0.973 . . . . 1.23 111.272 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.696 HG12 ' O ' ' A' ' 44' ' ' ALA . 38.5 mm -57.28 -40.98 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 0.89 110.541 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.36 89.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 0.36 109.426 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -57.04 -53.37 58.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.98 -1.009 . . . . 0.37 110.946 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.51 HG23 ' SG ' ' A' ' 34' ' ' CYS . 2.9 p -66.57 -26.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 0.2 111.266 -173.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -63.61 -18.12 63.59 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.133 -0.485 . . . . 4.1 111.207 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.35 -49.19 74.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 1.91 110.879 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 38.9 m-70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.617 -0.719 . . . . 0.63 110.239 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.9 mp0 . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 120.837 0.351 . . . . 2.12 110.613 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 37.6 t -67.35 93.54 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.857 -1.164 . . . . 0.3 107.857 168.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 35' ' ' VAL . 24.9 t -47.48 -28.58 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.551 0.532 . . . . 1.55 112.008 -174.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.569 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -78.66 -35.92 44.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.156 0.799 . . . . 2.01 113.156 -176.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.666 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 18.0 p -120.39 -23.01 6.28 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.46 -0.896 . . . . 0.36 112.361 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.49 0.19 59.52 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.161 -0.542 . . . . 0.42 113.591 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -78.16 127.89 32.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.388 0.594 . . . . 2.21 109.709 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -106.78 135.6 48.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.546 -0.297 . . . . 0.49 111.208 -176.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -113.83 156.2 24.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.172 -0.467 . . . . 0.61 110.381 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -72.85 -25.84 61.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.315 -0.857 . . . . 1.72 111.491 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.402 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 25.7 mt-30 -108.3 118.43 36.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.309 0.576 . . . . 2.49 110.281 174.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.746 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -35.41 75.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.101 -0.954 . . . . 0.5 112.091 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -76.06 -34.85 59.61 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.447 0.536 . . . . 1.29 112.447 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 3.0 p -70.22 -31.43 68.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.75 -0.833 . . . . 1.13 108.75 175.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.9 tm? -58.63 -52.55 65.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.332 -1.304 . . . . 1.23 110.106 173.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.746 HG12 ' O ' ' A' ' 44' ' ' ALA . 36.4 mm -52.22 -43.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.89 111.433 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.17 99.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.562 0.696 . . . . 0.36 109.914 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.509 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 22.0 t60 -65.45 -43.53 90.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.689 -1.141 . . . . 0.37 111.45 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.2 p -68.37 -27.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.291 . . . . 0.2 110.738 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -63.19 -19.43 64.5 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.105 0.479 . . . . 4.1 111.302 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -75.09 -31.85 61.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.154 -0.475 . . . . 1.91 110.959 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.666 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 50.9 m-70 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.8 -0.637 . . . . 0.63 111.083 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.583 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 12.3 mp0 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.977 0.418 . . . . 2.12 110.617 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' HG23 ' A' ' 51' ' ' VAL . 36.4 t -67.06 93.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.813 -1.18 . . . . 0.3 107.813 170.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.73 -12.27 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 1.55 111.705 -172.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -77.55 -44.44 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.464 -0.334 . . . . 2.01 111.616 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 17.6 p -120.46 -4.77 9.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 119.543 -0.863 . . . . 0.36 112.507 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.41 8.87 85.68 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.224 -0.512 . . . . 0.42 113.75 174.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.648 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.6 mptm? -83.6 130.71 34.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.287 0.543 . . . . 2.21 110.548 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -101.36 149.58 23.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 0.49 111.238 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.493 ' HD2' HD22 ' A' ' 47' ' ' LEU . 48.6 m-85 -132.39 163.68 28.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.521 . . . . 0.61 110.115 175.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -93.39 3.49 55.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.012 -0.54 . . . . 1.72 111.295 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 52.1 mt-30 -135.64 121.94 20.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.009 -0.542 . . . . 2.49 109.858 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -56.76 -38.61 72.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.305 -0.861 . . . . 0.5 111.964 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.685 ' HA ' HD12 ' A' ' 48' ' ' ILE . 14.0 m -78.54 -34.65 46.98 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.349 -0.54 . . . . 1.29 112.255 -173.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.422 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 42.0 p -66.42 -33.35 75.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.548 -0.908 . . . . 1.13 108.548 175.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.493 HD22 ' HD2' ' A' ' 41' ' ' PHE . 1.2 tm? -58.65 -55.29 37.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.636 -1.166 . . . . 1.23 109.653 173.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 45' ' ' SER . 46.7 mt -53.9 -43.4 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.53 -0.759 . . . . 0.89 111.28 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.77 86.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.338 0.589 . . . . 0.36 110.24 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.06 -40.83 97.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.026 -0.988 . . . . 0.37 111.644 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 48' ' ' ILE . 2.1 p -71.44 -27.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.796 0.331 . . . . 0.2 110.74 -174.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -59.94 -23.65 63.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.03 -0.532 . . . . 4.1 110.983 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.81 -25.1 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 1.91 110.78 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 50.3 m-70 . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.496 -0.775 . . . . 0.63 110.462 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' C ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.721 0.296 . . . . 2.12 110.386 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.57 ' HB2' HD11 ' A' ' 47' ' ' LEU . 47.5 t -63.26 92.25 0.06 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.3 109.285 175.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.97 -13.87 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.808 0.337 . . . . 1.55 111.774 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.7 -46.05 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 2.01 111.767 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 p -121.27 -29.37 4.51 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.744 -0.783 . . . . 0.36 112.151 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.33 -2.1 25.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.42 112.977 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.68 138.82 50.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.213 0.507 . . . . 2.21 110.447 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.1 122.95 39.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.94 0.4 . . . . 0.49 111.552 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 67.5 m-85 -107.24 137.27 45.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 0.61 109.584 175.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -69.29 -21.52 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 1.72 111.057 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -98.99 119.12 37.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.387 0.613 . . . . 2.49 109.716 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.35 -42.14 81.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.784 -1.098 . . . . 0.5 112.682 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.778 ' HA ' HD12 ' A' ' 48' ' ' ILE . 18.1 m -77.62 -29.41 51.82 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.033 -0.667 . . . . 1.29 112.206 -172.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -58.96 -41.03 86.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.109 -1.071 . . . . 1.13 108.109 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 34' ' ' CYS . 30.8 tp -66.01 -44.41 84.86 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.59 -1.186 . . . . 1.23 111.379 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 45' ' ' SER . 49.6 mt -55.35 -43.88 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.132 0.491 . . . . 0.89 110.388 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.9 98.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.546 0.688 . . . . 0.36 109.785 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -64.11 -42.73 96.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.606 -1.179 . . . . 0.37 111.966 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 48' ' ' ILE . 4.0 p -69.01 -28.59 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.794 0.331 . . . . 0.2 110.516 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -72.87 -16.49 61.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.039 -0.528 . . . . 4.1 110.842 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 1.91 110.018 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 73.0 m-70 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.219 -0.9 . . . . 0.63 110.766 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.621 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.3 mp0 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.096 0.474 . . . . 2.12 111.574 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.653 ' HB2' HD11 ' A' ' 47' ' ' LEU . 43.1 t -61.62 94.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.287 -1.005 . . . . 0.3 108.287 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -53.99 -20.48 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.033 0.444 . . . . 1.55 111.714 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.9 mmm -73.85 -40.96 62.89 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.201 -0.454 . . . . 2.01 112.078 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 21.3 p -121.29 -30.06 4.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.546 -0.862 . . . . 0.36 112.793 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.25 -4.96 25.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.489 -0.862 . . . . 0.42 113.4 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -80.77 133.64 35.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.218 0.509 . . . . 2.21 110.692 -179.219 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.621 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -103.69 144.25 31.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 0.49 112.58 -171.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 34.9 m-85 -130.32 142.89 50.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.349 -0.841 . . . . 0.61 109.533 171.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.6 p -73.82 -25.77 60.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 1.72 110.842 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -102.5 120.61 40.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 2.49 109.836 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.684 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.1 -42.51 98.64 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.04 -0.982 . . . . 0.5 112.264 -175.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.67 ' HA ' HG12 ' A' ' 48' ' ' ILE . 16.4 m -77.13 -29.16 54.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.037 -0.665 . . . . 1.29 111.731 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -61.05 -40.39 93.46 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 1.13 108.297 171.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' A' ' 34' ' ' CYS . 36.7 tp -64.24 -38.48 91.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.998 -1.001 . . . . 1.23 110.889 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.684 HG12 ' O ' ' A' ' 44' ' ' ALA . 41.3 mm -55.52 -43.79 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.911 0.386 . . . . 0.89 110.835 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.78 96.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.482 0.658 . . . . 0.36 109.889 177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.68 -44.78 92.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.03 -0.986 . . . . 0.37 111.29 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.548 HG23 ' SG ' ' A' ' 34' ' ' CYS . 1.3 p -70.59 -27.54 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.8 0.333 . . . . 0.2 110.515 -177.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -61.32 -26.9 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.301 -0.409 . . . . 4.1 110.97 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -61.3 -31.78 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.272 0.558 . . . . 1.91 110.716 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 69.4 m-70 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.258 -0.883 . . . . 0.63 110.315 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.487 HE21 ' N ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.369 -0.604 . . . . 2.12 109.369 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.46 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 24.0 t -63.44 94.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.17 -0.678 . . . . 0.3 109.17 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.2 t -49.17 -30.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 123.409 0.443 . . . . 1.55 111.945 -176.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -74.09 -40.55 62.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.043 0.757 . . . . 2.01 113.043 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.5 p -120.66 -7.14 9.65 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.319 -0.952 . . . . 0.36 112.253 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.54 -5.97 83.47 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.348 -0.453 . . . . 0.42 114.143 174.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 13.1 mptt -85.16 135.81 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.368 0.584 . . . . 2.21 110.414 -176.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . . . -115.59 155.0 28.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.066 0.46 . . . . 0.49 111.676 -174.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -126.85 174.3 8.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.61 109.993 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 t -79.11 -31.43 44.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.4 . . . . 1.72 111.028 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HB3' ' OG ' ' A' ' 46' ' ' SER . 8.7 tp-100 -105.71 123.92 48.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.532 0.682 . . . . 2.49 110.904 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.86 -38.72 76.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.919 -1.037 . . . . 0.5 112.137 -177.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.536 ' HA ' HD12 ' A' ' 48' ' ' ILE . 28.1 m -78.21 -33.6 49.86 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.267 -0.573 . . . . 1.29 112.359 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.466 ' OG ' ' HB3' ' A' ' 43' ' ' GLN . 10.5 p -67.73 -33.99 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.617 -0.883 . . . . 1.13 108.617 174.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.7 tm? -57.24 -56.34 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.575 -1.193 . . . . 1.23 109.87 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 44' ' ' ALA . 36.3 mt -55.56 -41.25 63.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.715 -0.675 . . . . 0.89 111.183 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.8 93.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.563 0.697 . . . . 0.36 109.806 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.46 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 22.5 t60 -64.7 -42.8 95.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.802 -1.09 . . . . 0.37 111.432 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 48' ' ' ILE . 5.2 p -69.54 -28.65 38.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 0.2 110.635 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -68.71 -22.76 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 4.1 110.474 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.85 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -63.72 -35.19 79.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.222 -0.444 . . . . 1.91 110.715 175.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 44.2 m-70 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.042 -0.526 . . . . 0.63 110.037 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.576 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 18.2 mp0 . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.123 -0.695 . . . . 2.12 109.123 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 15.9 t -71.49 89.94 0.97 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.432 -1.321 . . . . 0.3 107.432 167.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -50.43 -26.77 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 1.55 111.735 -172.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -77.15 -31.7 55.75 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.897 0.703 . . . . 2.01 112.897 -176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.9 p -121.3 -28.41 4.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.362 -0.935 . . . . 0.36 112.166 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.14 -15.28 28.13 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.978 -0.63 . . . . 0.42 113.211 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.9 132.73 39.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.019 0.409 . . . . 2.21 110.619 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.269 -0.423 . . . . 0.49 111.096 -176.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.47 ' H ' HD23 ' A' ' 47' ' ' LEU . 70.4 m-85 -110.24 170.47 8.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.706 -0.479 . . . . 0.61 109.706 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.564 HG23 ' HG2' ' A' ' 43' ' ' GLN . 9.3 t -75.82 -39.7 56.28 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.012 -0.275 . . . . 1.72 111.25 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.564 ' HG2' HG23 ' A' ' 42' ' ' THR . 30.8 mm-40 -101.46 127.58 48.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 2.49 110.717 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.671 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -56.95 -40.89 77.3 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 114.675 -1.148 . . . . 0.5 113.33 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.3 m -79.13 -29.14 43.0 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.114 -0.634 . . . . 1.29 111.467 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 m -59.2 -43.38 92.25 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.172 -1.047 . . . . 1.13 108.172 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 41' ' ' PHE . 1.5 tm? -56.68 -55.92 27.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.016 -1.447 . . . . 1.23 110.42 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.1 mm -52.6 -44.59 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 0.89 111.469 -178.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.44 94.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.493 0.663 . . . . 0.36 110.318 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.475 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 26.1 t60 -64.56 -42.14 95.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.098 -0.956 . . . . 0.37 111.374 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -67.05 -27.96 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 0.2 110.752 -175.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 5.2 tmm_? -59.39 -28.85 67.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 4.1 110.149 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.635 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -62.04 -36.2 80.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.91 111.405 179.407 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.661 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 49.6 m-70 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.63 109.978 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 121.312 0.577 . . . . 2.12 111.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 20.1 t -69.86 90.1 0.6 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.006 -1.109 . . . . 0.3 108.006 167.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 t -47.96 -30.22 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.03 0.443 . . . . 1.55 112.024 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 36' ' ' MET . 1.2 mpt? -69.08 -40.1 78.65 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.472 0.545 . . . . 2.01 112.472 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 18.6 p -120.2 -22.04 6.75 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.472 -0.891 . . . . 0.36 112.148 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.1 -7.27 56.84 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.414 -0.422 . . . . 0.42 113.203 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.51 128.97 36.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.9 0.35 . . . . 2.21 111.118 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.0 133.82 54.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 0.49 110.037 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -106.49 173.64 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.214 -0.194 . . . . 0.61 111.209 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.0 m -70.34 -40.65 74.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.117 0.485 . . . . 1.72 110.668 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -101.1 119.99 39.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 2.49 110.507 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.704 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -57.91 -40.64 80.85 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.084 -0.962 . . . . 0.5 112.063 -176.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 p -74.83 -33.24 62.14 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.599 -0.441 . . . . 1.29 111.234 -176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -38.85 88.79 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.609 -0.886 . . . . 1.13 108.609 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.4 tm? -58.52 -54.1 50.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.712 -1.131 . . . . 1.23 109.949 174.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.704 HG12 ' O ' ' A' ' 44' ' ' ALA . 25.1 mm -52.78 -43.94 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 0.89 111.118 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.396 0.617 . . . . 0.36 110.342 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.431 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 30.0 t60 -65.08 -42.14 94.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.983 -1.008 . . . . 0.37 111.549 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 48' ' ' ILE . 7.9 p -66.85 -28.46 43.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.006 0.431 . . . . 0.2 110.434 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.48 ' O ' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.7 -19.65 65.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.692 -0.685 . . . . 4.1 110.856 179.219 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -71.68 -37.92 70.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.263 -0.426 . . . . 1.91 110.874 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 38.9 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.63 110.556 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 11.7 pt20 . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.919 -0.771 . . . . 2.12 108.919 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.451 ' SG ' HG23 ' A' ' 51' ' ' VAL . 53.1 t -60.14 106.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.934 -0.575 . . . . 0.3 109.816 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.44 -19.53 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.272 -0.422 . . . . 1.55 111.582 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 15.2 tpt -85.5 -41.23 15.52 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.47 0.544 . . . . 2.01 112.47 -176.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.2 p -120.26 -1.34 10.28 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.406 -0.918 . . . . 0.36 112.275 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.17 15.25 81.76 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.309 -0.472 . . . . 0.42 114.101 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -100.87 130.81 46.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.367 0.584 . . . . 2.21 110.881 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . . . -103.58 162.64 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 0.49 111.352 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' HD2' HD22 ' A' ' 47' ' ' LEU . 82.6 m-85 -135.6 151.14 49.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.837 -0.62 . . . . 0.61 109.895 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -73.07 -19.62 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 1.72 111.001 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -114.68 121.1 42.34 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.236 0.541 . . . . 2.49 109.717 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.7 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -52.86 -34.98 56.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.867 -1.06 . . . . 0.5 112.191 -177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -76.52 -36.98 57.43 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.634 -0.427 . . . . 1.29 111.617 -175.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 m -60.03 -38.8 83.76 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.931 -0.766 . . . . 1.13 108.931 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.576 HD22 ' HD2' ' A' ' 41' ' ' PHE . 1.3 tm? -56.44 -57.48 12.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.379 -1.282 . . . . 1.23 109.876 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.7 HG12 ' O ' ' A' ' 44' ' ' ALA . 26.8 mm -57.71 -40.94 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.73 . . . . 0.89 110.866 -177.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.02 88.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.405 0.622 . . . . 0.36 110.022 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -65.67 -40.7 92.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.953 -1.021 . . . . 0.37 111.697 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 48' ' ' ILE . 5.7 p -71.5 -29.27 34.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.889 -0.324 . . . . 0.2 110.747 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -69.02 -16.52 63.74 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 120.72 0.295 . . . . 4.1 111.051 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.76 -39.0 80.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 1.91 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.433 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 36.9 m-70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.6 . . . . 0.63 109.978 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.541 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 27.0 mp0 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.888 0.375 . . . . 2.12 111.499 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.582 ' HB2' HD11 ' A' ' 47' ' ' LEU . 33.9 t -61.2 102.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.849 -1.167 . . . . 0.3 107.849 167.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.5 -13.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 112.554 0.575 . . . . 1.55 112.554 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.442 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 26.3 mmt -94.88 -36.28 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.539 0.57 . . . . 2.01 112.539 -175.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.632 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.4 p -121.63 -16.55 7.71 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.642 -0.823 . . . . 0.36 112.348 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -20.03 45.21 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.608 -0.806 . . . . 0.42 113.777 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 71.8 mmtt -56.81 120.78 8.45 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 117.122 0.461 . . . . 2.21 111.576 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -105.12 133.14 50.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.97 -0.559 . . . . 0.49 111.0 -177.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.649 ' HD2' HD13 ' A' ' 47' ' ' LEU . 86.4 m-85 -117.92 158.46 24.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.61 110.147 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -77.03 -29.29 55.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.883 -0.599 . . . . 1.72 110.498 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -108.01 115.79 30.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.835 -0.62 . . . . 2.49 109.481 175.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.718 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.81 -27.33 69.1 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.445 -0.798 . . . . 0.5 111.437 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -73.88 -38.9 64.27 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.698 -0.401 . . . . 1.29 111.449 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 m -62.88 -37.06 85.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.56 -0.904 . . . . 1.13 108.56 174.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.649 HD13 ' HD2' ' A' ' 41' ' ' PHE . 53.7 tp -61.86 -39.03 90.47 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.431 -1.259 . . . . 1.23 111.76 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.718 HG12 ' O ' ' A' ' 44' ' ' ALA . 27.1 mm -55.47 -44.1 74.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.762 0.315 . . . . 0.89 111.024 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.12 96.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.558 0.694 . . . . 0.36 109.57 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.415 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 15.4 t60 -60.28 -46.2 90.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.712 -1.131 . . . . 0.37 111.562 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -69.83 -27.83 34.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.833 0.349 . . . . 0.2 111.029 -175.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -64.98 -21.37 66.83 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.167 0.508 . . . . 4.1 110.573 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.61 -38.38 90.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.704 -0.68 . . . . 1.91 110.852 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.632 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 47.1 m-70 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.63 110.946 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 98.5 mt-30 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.616 0.246 . . . . 2.12 110.854 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.594 ' HB2' HD11 ' A' ' 47' ' ' LEU . 49.7 t -59.07 107.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.628 -0.879 . . . . 0.3 108.628 169.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.73 -11.52 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 113.264 0.838 . . . . 1.55 113.264 -172.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -100.78 -35.15 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.112 0.782 . . . . 2.01 113.112 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.1 p -120.86 -19.15 7.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.314 -0.955 . . . . 0.36 112.079 -176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 -14.63 58.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.42 113.318 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 33.4 tptt -54.19 119.24 4.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 117.308 0.554 . . . . 2.21 110.863 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -106.34 120.34 41.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.525 . . . . 0.49 111.266 -177.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.605 ' HD2' HD13 ' A' ' 47' ' ' LEU . 77.7 m-85 -106.79 138.1 43.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.469 -0.567 . . . . 0.61 109.469 174.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -65.42 -21.53 66.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 1.72 111.022 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -111.42 118.88 37.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.366 -0.605 . . . . 2.49 109.366 173.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.659 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.75 -38.71 91.63 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.322 -0.854 . . . . 0.5 112.197 -172.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.556 ' HA ' HG12 ' A' ' 48' ' ' ILE . 41.3 t -72.3 -28.07 62.86 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.277 -0.569 . . . . 1.29 111.684 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 t -64.53 -42.02 96.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.781 -1.192 . . . . 1.13 107.781 172.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.605 HD13 ' HD2' ' A' ' 41' ' ' PHE . 49.9 tp -61.04 -38.99 88.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.546 -1.206 . . . . 1.23 111.637 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.659 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.8 mm -53.52 -43.17 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.775 0.321 . . . . 0.89 111.228 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.31 97.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.437 0.637 . . . . 0.36 109.877 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.642 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 16.1 t60 -63.13 -44.5 95.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.905 -1.043 . . . . 0.37 111.41 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -67.51 -26.59 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 0.2 110.82 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -65.66 -16.75 64.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.184 -0.462 . . . . 4.1 111.054 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.642 ' HB3' ' O ' ' A' ' 50' ' ' HIS . 5.5 tt0 -64.02 -37.18 86.48 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 123.106 0.562 . . . . 1.91 110.812 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 37.2 m-70 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.795 -0.639 . . . . 0.63 110.724 -174.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.561 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 2.3 mp0 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.005 -0.369 . . . . 2.12 110.005 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 14.0 t -69.42 95.82 0.84 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.68 -1.23 . . . . 0.3 107.68 169.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -52.56 -18.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.278 0.844 . . . . 1.55 113.278 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.9 mmm -91.87 -32.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.94 0.719 . . . . 2.01 112.94 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 15.9 p -121.99 -10.85 8.58 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.285 -0.966 . . . . 0.36 112.611 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.91 -9.39 76.78 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 121.145 -0.55 . . . . 0.42 113.586 177.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -65.94 132.36 48.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.285 0.543 . . . . 2.21 110.936 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -120.57 120.88 37.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.935 0.398 . . . . 0.49 110.723 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.61 ' H ' HD23 ' A' ' 47' ' ' LEU . 77.7 m-85 -98.99 151.26 21.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.61 110.487 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -67.44 -20.56 65.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.429 -0.805 . . . . 1.72 111.058 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -106.71 117.71 34.77 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.24 -0.652 . . . . 2.49 109.24 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.686 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.21 -41.03 99.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 0.5 112.228 -175.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -73.74 -31.99 63.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.498 -0.481 . . . . 1.29 111.21 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -65.05 -37.66 88.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.435 -0.95 . . . . 1.13 108.435 174.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.61 HD23 ' H ' ' A' ' 41' ' ' PHE . 1.6 tm? -58.01 -53.62 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.627 -1.169 . . . . 1.23 110.027 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.2 mm -53.49 -43.62 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.787 -0.642 . . . . 0.89 111.071 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.32 97.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.619 0.724 . . . . 0.36 110.261 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.403 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 13.4 t60 -64.97 -38.57 91.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.94 -1.027 . . . . 0.37 111.647 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.1 p -69.66 -27.62 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.073 -0.392 . . . . 0.2 110.851 -176.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -68.33 -18.71 64.57 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.281 -0.418 . . . . 4.1 111.11 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.53 -38.58 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 1.91 110.745 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 45.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.63 110.321 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.614 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 20.1 mt-30 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.178 -0.304 . . . . 2.12 110.178 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.595 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.3 t -55.59 106.84 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.627 -0.879 . . . . 0.3 108.627 169.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 m -60.31 -3.99 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 112.683 0.624 . . . . 1.55 112.683 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.7 mmt -99.65 -44.95 5.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.716 -0.22 . . . . 2.01 111.554 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB3' ' HE1' ' A' ' 54' ' ' HIS . 17.3 p -120.29 -22.86 6.39 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 119.762 -0.775 . . . . 0.36 112.573 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 -4.35 52.32 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.796 -0.716 . . . . 0.42 113.392 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 14.7 tptm -56.95 125.56 23.12 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.275 0.538 . . . . 2.21 110.536 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -106.69 143.85 34.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.383 -0.371 . . . . 0.49 111.42 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.692 ' HD2' HD13 ' A' ' 47' ' ' LEU . 75.7 m-85 -136.23 153.71 51.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.946 -0.57 . . . . 0.61 109.469 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -81.66 -19.19 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.261 0.553 . . . . 1.72 110.435 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.928 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -110.52 119.78 40.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.758 -0.655 . . . . 2.49 109.85 177.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.632 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.36 -45.24 95.2 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.924 -1.035 . . . . 0.5 113.106 -170.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.728 ' HA ' HG12 ' A' ' 48' ' ' ILE . 63.7 p -81.32 -19.45 42.84 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.868 -0.733 . . . . 1.29 111.423 -173.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 m -62.4 -43.31 99.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.821 -1.177 . . . . 1.13 107.821 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.692 HD13 ' HD2' ' A' ' 41' ' ' PHE . 50.2 tp -66.1 -37.68 86.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.73 -1.123 . . . . 1.23 111.196 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.728 HG12 ' HA ' ' A' ' 45' ' ' SER . 43.4 mm -57.76 -44.58 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.89 110.495 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.06 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.476 0.655 . . . . 0.36 109.518 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.89 -51.35 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.894 -1.048 . . . . 0.37 111.464 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.0 p -65.13 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.688 0.28 . . . . 0.2 111.116 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -69.91 -17.52 63.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 4.1 110.896 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.87 -27.67 67.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.021 0.439 . . . . 1.91 111.027 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.463 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 46.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.573 . . . . 0.63 109.905 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 53.6 tttm . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.311 -0.255 . . . . 4.57 110.311 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 31.9 Cg_exo -58.34 122.45 11.7 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.73 2.287 . . . . 2.69 111.493 175.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -129.31 172.45 11.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.184 -0.462 . . . . 2.13 109.917 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.611 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.3 mp0 -113.68 138.96 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.185 -0.461 . . . . 2.12 110.43 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.55 97.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.249 -1.019 . . . . 0.3 108.249 168.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 p -53.28 -19.95 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.181 0.515 . . . . 1.55 111.731 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.646 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 96.2 mmm -76.8 -50.36 13.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 2.01 111.926 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.3 p -116.92 -16.68 10.54 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.74 -0.784 . . . . 0.36 112.491 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.42 2.31 60.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.993 -0.623 . . . . 0.42 113.393 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -70.33 119.14 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.235 0.518 . . . . 2.21 110.413 176.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -99.44 146.47 26.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.564 . . . . 0.49 110.949 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HD2' HD22 ' A' ' 47' ' ' LEU . 56.9 m-85 -134.06 147.36 50.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.225 0.536 . . . . 0.61 110.713 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 42' ' ' THR . 2.1 t -71.38 -16.59 62.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.072 -0.967 . . . . 1.72 111.293 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.92 119.66 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.134 0.492 . . . . 2.49 110.428 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.68 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.077 -0.965 . . . . 0.5 112.381 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 m -73.24 -34.79 66.06 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.134 -0.627 . . . . 1.29 111.452 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -63.15 -38.13 89.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.744 -0.836 . . . . 1.13 108.744 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.6 tm? -57.76 -54.26 48.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.634 -1.167 . . . . 1.23 110.354 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 44' ' ' ALA . 30.0 mm -52.82 -44.07 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.857 -0.61 . . . . 0.89 111.255 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.75 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.377 0.608 . . . . 0.36 110.086 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -60.87 -47.33 86.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.199 -0.909 . . . . 0.37 111.398 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -66.32 -29.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 0.2 110.719 -175.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -63.34 -24.08 67.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 4.1 110.995 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.27 -39.96 94.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 1.91 111.401 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.646 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 23.6 m-70 -75.7 -23.92 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.108 0.48 . . . . 0.63 110.129 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.8 m -82.19 -45.86 14.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.831 -0.622 . . . . 1.63 110.393 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.7 176.34 17.64 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.576 -0.821 . . . . 2.33 112.637 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.75 -172.47 1.57 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.56 -0.32 . . . . 4.44 110.499 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.582 -0.723 . . . . 8.74 109.733 175.843 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 46.8 mtmt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.216 -0.29 . . . . 4.57 110.216 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 8.6 Cg_exo -72.32 118.19 5.49 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.294 1.996 . . . . 2.69 110.496 173.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.3 m -115.93 141.68 47.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.158 0.504 . . . . 2.13 111.231 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 53.4 mt-30 -112.04 145.38 39.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.391 -0.822 . . . . 2.12 110.669 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 51.0 t -59.63 97.21 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.111 -1.07 . . . . 0.3 108.111 168.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -52.96 -18.93 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.223 0.535 . . . . 1.55 112.006 -174.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.649 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 23.1 mmt -81.1 -40.05 24.7 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.359 0.503 . . . . 2.01 112.359 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.515 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 19.8 p -121.65 -21.16 6.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 119.457 -0.897 . . . . 0.36 112.731 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 2.63 55.37 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.792 -0.718 . . . . 0.42 113.703 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -79.81 131.6 35.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.34 0.57 . . . . 2.21 110.634 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 0.49 111.284 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HD2' HD22 ' A' ' 47' ' ' LEU . 57.3 m-85 -137.59 166.28 24.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.645 -0.707 . . . . 0.61 110.051 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -85.27 -30.47 23.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 1.72 110.169 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.409 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 74.3 mt-30 -103.75 121.98 44.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.766 -0.652 . . . . 2.49 110.289 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.757 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.4 -33.75 72.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.217 -0.901 . . . . 0.5 111.939 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 m -77.71 -35.63 51.87 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.578 -0.449 . . . . 1.29 112.001 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 9.1 p -66.51 -32.89 74.53 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.771 -0.825 . . . . 1.13 108.771 173.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.51 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.5 tm? -59.12 -54.36 47.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.843 -1.071 . . . . 1.23 109.268 173.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.757 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.9 mm -55.9 -42.72 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.74 -0.664 . . . . 0.89 111.233 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.02 83.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.304 0.574 . . . . 0.36 109.958 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.447 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 15.8 t60 -62.22 -44.32 96.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.956 -1.02 . . . . 0.37 111.503 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 48' ' ' ILE . 4.1 p -70.7 -28.81 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.977 0.418 . . . . 0.2 110.691 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -64.59 -24.86 67.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.265 -0.425 . . . . 4.1 110.825 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -61.67 -42.13 98.49 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.488 -0.324 . . . . 1.91 110.637 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.649 ' HB2' ' HG3' ' A' ' 36' ' ' MET . 19.5 m-70 -75.41 -30.4 60.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.204 0.526 . . . . 0.63 109.83 177.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 m -74.49 -12.89 60.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.437 -0.801 . . . . 1.63 110.407 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.46 -116.36 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.439 -0.665 . . . . 2.33 111.439 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' OE1' ' HA ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -97.17 164.94 12.29 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.213 0.53 . . . . 4.44 111.1 -178.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm . . . . . 0 C--O 1.247 0.953 0 CA-C-N 115.45 -0.795 . . . . 8.74 109.946 -174.708 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 22.2 pttp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.52 -0.548 . . . . 4.57 109.52 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 30' ' ' LYS . 18.9 Cg_endo -60.06 119.26 6.36 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.423 2.082 . . . . 2.69 112.337 -176.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 p -117.65 144.12 45.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.038 -0.528 . . . . 2.13 110.523 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 1.5 mp0 -107.5 144.09 34.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.11 0.481 . . . . 2.12 110.609 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.588 ' HB2' HD11 ' A' ' 47' ' ' LEU . 45.5 t -63.53 93.0 0.07 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.827 -1.175 . . . . 0.3 107.827 168.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 t -54.85 -17.96 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.252 0.548 . . . . 1.55 111.53 -173.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.3 mmm -77.52 -40.29 43.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 2.01 111.986 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 19.3 p -121.85 -30.81 4.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 119.538 -0.865 . . . . 0.36 112.619 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.17 -6.56 21.47 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.898 -0.668 . . . . 0.42 113.459 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -60.68 123.99 19.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.054 0.427 . . . . 2.21 110.545 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -101.46 128.03 47.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.023 0.44 . . . . 0.49 111.17 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.7 ' HD2' HD13 ' A' ' 47' ' ' LEU . 70.3 m-85 -125.43 131.75 52.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.909 -0.587 . . . . 0.61 110.33 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -74.67 -19.62 60.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.315 -0.857 . . . . 1.72 110.755 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -100.23 117.17 33.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 2.49 109.498 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.635 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.08 -44.85 94.61 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.223 -0.899 . . . . 0.5 112.229 -172.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.719 ' HA ' HG12 ' A' ' 48' ' ' ILE . 19.4 m -81.92 -20.64 38.3 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.895 -0.722 . . . . 1.29 111.51 -172.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -64.66 -41.9 95.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.481 -1.303 . . . . 1.13 107.481 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 41' ' ' PHE . 27.5 tp -64.47 -40.74 96.26 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.709 -1.132 . . . . 1.23 111.165 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.719 HG12 ' HA ' ' A' ' 45' ' ' SER . 38.9 mm -52.8 -45.96 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.89 110.674 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.66 97.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.399 0.619 . . . . 0.36 109.888 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -60.75 -48.81 80.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.028 -0.987 . . . . 0.37 111.259 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.447 HG23 ' SG ' ' A' ' 34' ' ' CYS . 1.2 p -66.98 -28.07 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.326 . . . . 0.2 110.731 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 55' ' ' THR . 44.3 ttp180 -65.05 -16.79 63.85 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.151 -0.477 . . . . 4.1 110.986 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -69.5 -29.58 67.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.342 0.591 . . . . 1.91 109.985 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 60.6 m-70 -86.79 -2.76 58.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.363 -0.835 . . . . 0.63 111.408 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 52' ' ' ARG . 3.5 t -72.92 -15.59 61.57 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.29 0.567 . . . . 1.63 109.652 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.64 161.46 10.4 Favored Glycine 0 N--CA 1.441 -0.996 0 CA-C-N 115.541 -0.754 . . . . 2.33 112.012 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -130.38 172.59 11.69 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.05 -0.575 . . . . 4.44 109.469 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.673 -0.68 . . . . 8.74 110.366 179.772 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.558 0.218 . . . . 4.57 110.434 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.2 119.83 6.94 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.416 2.078 . . . . 2.69 110.652 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 p -116.15 139.99 49.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.379 0.609 . . . . 2.13 111.498 -175.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.65 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 1.6 mp0 -106.58 161.51 14.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.322 -0.854 . . . . 2.12 108.864 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 47' ' ' LEU . 8.8 t -64.7 89.34 0.07 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.14 -1.43 . . . . 0.3 107.14 167.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.18 -23.32 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.141 0.423 . . . . 1.55 112.141 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.873 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 14.3 tpt -76.79 -43.03 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.075 0.398 . . . . 2.01 112.075 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.5 p -111.84 -20.6 11.98 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 119.405 -0.918 . . . . 0.36 111.703 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.23 -14.61 58.23 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.242 -0.504 . . . . 0.42 113.456 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 28.6 mmtp -74.06 132.63 42.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.418 0.609 . . . . 2.21 110.741 -176.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.65 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -107.67 130.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.32 -0.4 . . . . 0.49 111.481 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.74 ' HD2' HD13 ' A' ' 47' ' ' LEU . 35.2 m-85 -101.35 158.88 15.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.192 0.52 . . . . 0.61 110.331 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -79.75 -19.88 47.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 1.72 109.987 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -115.85 118.26 32.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 2.49 110.185 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.681 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -64.24 -39.76 94.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.108 -0.951 . . . . 0.5 111.979 -172.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -77.06 -31.45 56.12 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.177 -0.609 . . . . 1.29 111.261 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.5 m -61.45 -40.35 94.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.307 -0.997 . . . . 1.13 108.307 171.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.74 HD13 ' HD2' ' A' ' 41' ' ' PHE . 52.6 tp -62.35 -42.4 99.37 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.821 -1.081 . . . . 1.23 111.872 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.681 HG12 ' O ' ' A' ' 44' ' ' ALA . 34.2 mm -56.84 -43.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 0.89 110.487 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.59 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.46 0.648 . . . . 0.36 109.689 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.429 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 50.7 t60 -63.69 -47.32 81.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.37 111.638 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.8 p -67.22 -28.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.72 0.295 . . . . 0.2 110.607 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -59.48 -30.84 68.83 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.985 -0.552 . . . . 4.1 110.36 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.811 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -63.36 -30.86 71.92 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.957 -0.565 . . . . 1.91 111.143 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.873 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 71.2 m-70 -80.33 -17.77 51.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 0.63 110.065 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 m -82.55 -3.66 56.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.815 0.817 . . . . 1.63 109.399 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.98 -156.87 8.05 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.745 -1.116 . . . . 2.33 110.897 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -125.52 101.8 7.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.447 0.642 . . . . 4.44 111.652 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.547 ' CD ' ' HB3' ' A' ' 53' ' ' GLN . 3.2 ptmm? . . . . . 0 C--O 1.247 0.935 0 CA-C-N 115.22 -0.9 . . . . 8.74 110.155 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.642 0.258 . . . . 4.57 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -62.18 130.22 29.79 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.714 1.609 . . . . 2.69 109.182 168.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.4 m -106.88 155.15 20.06 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.068 0.461 . . . . 2.13 111.247 -168.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.721 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.6 pt20 -110.49 149.25 30.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.441 -0.8 . . . . 2.12 109.77 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.558 ' HB2' HD11 ' A' ' 47' ' ' LEU . 42.1 t -57.36 104.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.844 . . . . 0.3 109.034 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -54.35 -25.14 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 1.55 111.44 -175.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.51 -43.1 40.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.63 . . . . 2.01 112.46 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.629 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 22.7 p -120.92 -10.74 9.05 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 119.54 -0.864 . . . . 0.36 112.758 -174.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 6.46 74.03 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.808 -0.711 . . . . 0.42 113.366 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.629 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.7 mptm? -85.53 119.66 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.078 0.439 . . . . 2.21 110.499 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.721 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . . . -100.57 159.31 15.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 0.49 111.255 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HD2' HD13 ' A' ' 47' ' ' LEU . 69.6 m-85 -138.37 162.57 34.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.688 -0.687 . . . . 0.61 109.721 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -69.6 -16.58 63.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 1.72 111.622 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -134.54 125.58 27.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 2.49 110.398 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.38 -38.29 83.46 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.025 -0.989 . . . . 0.5 112.46 -175.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.485 ' HA ' HG12 ' A' ' 48' ' ' ILE . 4.4 p -74.29 -33.37 63.21 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.304 -0.558 . . . . 1.29 111.847 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -62.8 -38.0 88.93 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.881 -0.785 . . . . 1.13 108.881 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 34' ' ' CYS . 56.5 tp -62.56 -40.18 96.03 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.72 -1.127 . . . . 1.23 111.44 177.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.69 HG12 ' O ' ' A' ' 44' ' ' ALA . 31.0 mm -53.38 -40.33 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.224 -0.444 . . . . 0.89 110.793 -177.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 96.0 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.292 0.568 . . . . 0.36 109.801 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -59.57 -51.49 69.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.37 111.023 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 48' ' ' ILE . 4.5 p -65.46 -27.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.2 111.0 -174.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -68.22 -18.66 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 4.1 111.011 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -67.27 -31.03 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.344 . . . . 1.91 111.529 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.524 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m-70 -73.65 -13.05 60.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.374 0.607 . . . . 0.63 109.996 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -111.89 14.41 20.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.5 -0.773 . . . . 1.63 109.439 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.07 173.14 17.23 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.352 -0.84 . . . . 2.33 112.046 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -79.86 169.11 18.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.979 0.418 . . . . 4.44 111.4 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.846 -0.597 . . . . 8.74 110.312 179.659 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 pttt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.676 0.274 . . . . 4.57 110.373 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HB3' ' HA ' ' A' ' 42' ' ' THR . 22.6 Cg_exo -65.78 120.33 7.5 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.566 2.177 . . . . 2.69 110.744 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.764 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 58.0 m -112.35 162.92 15.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.285 -0.416 . . . . 2.13 111.326 -172.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -111.38 137.27 49.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 2.12 110.127 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' N ' HD21 ' A' ' 47' ' ' LEU . 53.6 t -64.36 93.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.735 -1.209 . . . . 0.3 107.735 169.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.3 -15.88 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.2 0.524 . . . . 1.55 111.719 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.406 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 96.0 mmm -77.97 -47.97 17.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.12 -0.491 . . . . 2.01 111.757 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.787 ' SG ' ' HG2' ' A' ' 39' ' ' LYS . 17.2 p -122.63 -9.23 8.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.039 0.755 . . . . 0.36 113.039 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.99 -4.82 61.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 114.759 0.664 . . . . 0.42 114.759 173.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.787 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 73.0 mmtt -63.62 126.76 28.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.991 0.895 . . . . 2.21 110.768 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.94 133.44 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 0.49 110.959 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.492 ' HD2' HD22 ' A' ' 47' ' ' LEU . 71.2 m-85 -130.62 136.78 49.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.61 110.441 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.42 ' HA ' ' HB3' ' A' ' 31' ' ' PRO . 2.7 p -64.56 -31.45 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.357 -0.838 . . . . 1.72 111.366 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -95.42 119.09 33.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.993 -0.549 . . . . 2.49 109.818 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.743 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.71 -34.25 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 0.5 111.469 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 t -75.38 -35.64 61.05 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.543 -0.463 . . . . 1.29 111.263 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -62.35 -38.49 89.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.804 -0.813 . . . . 1.13 108.804 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.764 ' HG ' ' HB2' ' A' ' 32' ' ' CYS . 1.4 tm? -57.69 -55.4 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.308 -1.314 . . . . 1.23 110.025 174.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.743 HG12 ' O ' ' A' ' 44' ' ' ALA . 33.3 mm -53.87 -43.53 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 0.89 111.149 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.73 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.22 0.534 . . . . 0.36 109.935 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -60.2 -49.49 77.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.915 -1.039 . . . . 0.37 111.026 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 48' ' ' ILE . 2.9 p -66.13 -28.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.2 110.828 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.63 -24.48 66.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.03 -0.532 . . . . 4.1 111.174 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -61.69 -40.62 95.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.937 0.399 . . . . 1.91 110.916 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.471 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 28.7 m-70 -74.11 -17.71 60.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.2 0.524 . . . . 0.63 110.095 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -91.82 -9.17 44.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.532 0.682 . . . . 1.63 110.048 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.14 -128.42 5.68 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.251 -0.886 . . . . 2.33 112.258 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -130.29 174.12 10.14 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 110.139 -0.319 . . . . 4.44 110.139 -176.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.303 -0.856 . . . . 8.74 109.906 173.37 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 25.4 pttm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.775 0.322 . . . . 4.57 110.233 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 16.4 Cg_exo -67.66 119.75 6.77 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.733 2.289 . . . . 2.69 111.813 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.7 m -108.98 137.32 47.08 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.957 -0.757 . . . . 2.13 108.957 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -110.26 136.16 49.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.045 0.45 . . . . 2.12 111.285 -176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' SG ' HG23 ' A' ' 51' ' ' VAL . 54.1 t -65.47 92.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.837 -1.172 . . . . 0.3 107.837 166.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 t -51.44 -21.88 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.152 0.501 . . . . 1.55 111.612 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmt -70.18 -49.0 54.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.44 0.533 . . . . 2.01 112.44 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 19.4 p -121.35 -18.08 7.43 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 119.555 -0.858 . . . . 0.36 112.597 -174.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.8 0.27 55.21 Favored Glycine 0 C--O 1.229 -0.198 0 C-N-CA 120.902 -0.666 . . . . 0.42 113.379 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 27.9 tptt -60.84 119.61 8.56 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 117.152 0.476 . . . . 2.21 110.266 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.28 130.27 53.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.912 0.387 . . . . 0.49 111.598 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.09 142.92 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.673 -0.694 . . . . 0.61 109.409 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.0 p -82.64 -5.34 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.449 . . . . 1.72 110.711 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -111.05 118.73 36.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.716 -0.675 . . . . 2.49 109.771 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.698 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.88 -35.37 79.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.311 -0.859 . . . . 0.5 112.193 -171.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.1 p -77.1 -37.64 53.89 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.471 -0.492 . . . . 1.29 112.057 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 m -60.44 -38.57 84.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.625 -0.88 . . . . 1.13 108.625 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.1 tm? -57.27 -57.6 11.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.289 -1.323 . . . . 1.23 110.272 176.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.1 mm -54.78 -42.26 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.89 111.098 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.19 82.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 0.36 109.863 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.07 -42.61 99.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.927 -1.033 . . . . 0.37 111.556 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.469 HG23 ' SG ' ' A' ' 34' ' ' CYS . 3.7 p -72.28 -28.89 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.727 -0.215 . . . . 0.2 110.556 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -65.4 -21.24 66.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.38 -0.373 . . . . 4.1 110.786 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -61.19 -38.8 87.85 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.155 0.502 . . . . 1.91 110.272 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.446 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 34.3 m-70 -75.85 -36.07 59.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.63 109.682 178.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 m -68.3 -40.03 81.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.484 -0.78 . . . . 1.63 111.237 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.67 -96.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.276 -0.488 . . . . 2.33 112.479 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.01 138.2 50.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.188 0.518 . . . . 4.44 110.606 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.538 -0.755 . . . . 8.74 110.257 -178.408 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.9 mttm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.589 -0.523 . . . . 4.57 109.589 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.67 148.12 86.72 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.437 2.091 . . . . 2.69 110.856 174.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.2 t -108.41 137.95 45.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.865 0.364 . . . . 2.13 110.243 -176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.619 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 2.2 mp0 -96.14 134.95 38.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.782 -0.645 . . . . 2.12 111.116 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.602 ' HB2' HD11 ' A' ' 47' ' ' LEU . 42.7 t -57.33 106.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.069 -1.086 . . . . 0.3 108.069 168.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.5 t -51.84 -25.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 123.659 0.599 . . . . 1.55 111.9 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.3 mmm -85.1 -45.78 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.898 0.703 . . . . 2.01 112.898 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.4 p -116.81 -6.68 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.575 -0.85 . . . . 0.36 112.635 -171.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.58 85.87 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.538 -0.839 . . . . 0.42 114.126 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 14.0 mptt -74.63 127.86 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.369 0.584 . . . . 2.21 110.662 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -103.51 154.99 18.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.992 0.425 . . . . 0.49 111.713 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.609 ' HD2' HD13 ' A' ' 47' ' ' LEU . 58.7 m-85 -138.31 152.7 48.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.627 -0.715 . . . . 0.61 109.785 174.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -72.0 -13.26 61.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.643 -0.708 . . . . 1.72 111.274 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -128.41 119.61 25.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.819 -0.628 . . . . 2.49 109.857 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.696 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -38.12 82.53 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.328 -0.851 . . . . 0.5 111.778 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.56 ' HA ' HG12 ' A' ' 48' ' ' ILE . 27.9 p -73.5 -36.18 65.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.466 -0.493 . . . . 1.29 111.87 -175.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 m -61.98 -36.57 81.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.575 -0.898 . . . . 1.13 108.575 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.609 HD13 ' HD2' ' A' ' 41' ' ' PHE . 61.6 tp -64.0 -37.27 86.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.059 -0.973 . . . . 1.23 111.272 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.696 HG12 ' O ' ' A' ' 44' ' ' ALA . 38.5 mm -57.28 -40.98 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 0.89 110.541 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.36 89.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 0.36 109.426 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -57.04 -53.37 58.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.98 -1.009 . . . . 0.37 110.946 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.51 HG23 ' SG ' ' A' ' 34' ' ' CYS . 2.9 p -66.57 -26.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 0.2 111.266 -173.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -63.61 -18.12 63.59 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.133 -0.485 . . . . 4.1 111.207 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.35 -49.19 74.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 1.91 110.879 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 38.9 m-70 -67.74 -21.2 65.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.617 -0.719 . . . . 0.63 110.239 -176.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -107.77 15.86 24.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.871 -0.604 . . . . 1.63 110.672 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -126.07 -123.06 2.64 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.771 -0.728 . . . . 2.33 112.217 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -121.58 -179.89 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.89 0.376 . . . . 4.44 111.269 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.546 -0.752 . . . . 8.74 111.159 179.554 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 110.059 -0.348 . . . . 4.57 110.059 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.54 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 32.9 Cg_endo -64.57 133.85 38.7 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.595 2.196 . . . . 2.69 112.382 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.9 t -136.01 142.62 44.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.797 -0.638 . . . . 2.13 109.304 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.9 mp0 -89.96 134.51 34.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.837 0.351 . . . . 2.12 110.613 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 37.6 t -67.35 93.54 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.857 -1.164 . . . . 0.3 107.857 168.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 35' ' ' VAL . 24.9 t -47.48 -28.58 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.551 0.532 . . . . 1.55 112.008 -174.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.569 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -78.66 -35.92 44.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.156 0.799 . . . . 2.01 113.156 -176.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.666 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 18.0 p -120.39 -23.01 6.28 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.46 -0.896 . . . . 0.36 112.361 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.49 0.19 59.52 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.161 -0.542 . . . . 0.42 113.591 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -78.16 127.89 32.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.388 0.594 . . . . 2.21 109.709 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -106.78 135.6 48.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.546 -0.297 . . . . 0.49 111.208 -176.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 31' ' ' PRO . 48.0 m-85 -113.83 156.2 24.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.172 -0.467 . . . . 0.61 110.381 177.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -72.85 -25.84 61.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.315 -0.857 . . . . 1.72 111.491 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.402 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 25.7 mt-30 -108.3 118.43 36.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.309 0.576 . . . . 2.49 110.281 174.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.746 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -60.26 -35.41 75.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.101 -0.954 . . . . 0.5 112.091 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -76.06 -34.85 59.61 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.447 0.536 . . . . 1.29 112.447 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 3.0 p -70.22 -31.43 68.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.75 -0.833 . . . . 1.13 108.75 175.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.9 tm? -58.63 -52.55 65.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.332 -1.304 . . . . 1.23 110.106 173.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.746 HG12 ' O ' ' A' ' 44' ' ' ALA . 36.4 mm -52.22 -43.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.89 111.433 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.17 99.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.562 0.696 . . . . 0.36 109.914 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.509 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 22.0 t60 -65.45 -43.53 90.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.689 -1.141 . . . . 0.37 111.45 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.2 p -68.37 -27.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.712 0.291 . . . . 0.2 110.738 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -63.19 -19.43 64.5 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.105 0.479 . . . . 4.1 111.302 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -75.09 -31.85 61.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.154 -0.475 . . . . 1.91 110.959 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.666 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 50.9 m-70 -79.82 0.16 32.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.8 -0.637 . . . . 0.63 111.083 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.5 m -59.02 -27.27 65.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.262 0.553 . . . . 1.63 110.459 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.8 -134.91 12.76 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.889 -0.672 . . . . 2.33 113.0 172.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -128.33 155.03 45.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.92 0.391 . . . . 4.44 110.73 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.952 -1.023 . . . . 8.74 109.178 172.365 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.974 -0.38 . . . . 4.57 109.974 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.13 128.04 16.92 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.585 2.19 . . . . 2.69 111.252 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.548 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 4.2 p -109.45 118.77 37.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.156 0.503 . . . . 2.13 110.762 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.583 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 12.3 mp0 -119.2 139.32 52.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.506 -0.77 . . . . 2.12 110.617 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' HG23 ' A' ' 51' ' ' VAL . 36.4 t -67.06 93.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.813 -1.18 . . . . 0.3 107.813 170.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.73 -12.27 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 1.55 111.705 -172.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -77.55 -44.44 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.464 -0.334 . . . . 2.01 111.616 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' ' HD3' ' A' ' 39' ' ' LYS . 17.6 p -120.46 -4.77 9.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 119.543 -0.863 . . . . 0.36 112.507 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.41 8.87 85.68 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.224 -0.512 . . . . 0.42 113.75 174.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.648 ' HD3' ' SG ' ' A' ' 37' ' ' CYS . 1.6 mptm? -83.6 130.71 34.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.287 0.543 . . . . 2.21 110.548 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -101.36 149.58 23.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 0.49 111.238 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' HD2' HD22 ' A' ' 47' ' ' LEU . 48.6 m-85 -132.39 163.68 28.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.521 . . . . 0.61 110.115 175.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 p -93.39 3.49 55.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.012 -0.54 . . . . 1.72 111.295 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 52.1 mt-30 -135.64 121.94 20.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.009 -0.542 . . . . 2.49 109.858 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -56.76 -38.61 72.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.305 -0.861 . . . . 0.5 111.964 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.685 ' HA ' HD12 ' A' ' 48' ' ' ILE . 14.0 m -78.54 -34.65 46.98 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.349 -0.54 . . . . 1.29 112.255 -173.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.422 ' OG ' ' HB2' ' A' ' 43' ' ' GLN . 42.0 p -66.42 -33.35 75.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.548 -0.908 . . . . 1.13 108.548 175.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' A' ' 32' ' ' CYS . 1.2 tm? -58.65 -55.29 37.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.636 -1.166 . . . . 1.23 109.653 173.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 45' ' ' SER . 46.7 mt -53.9 -43.4 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.53 -0.759 . . . . 0.89 111.28 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.77 86.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.338 0.589 . . . . 0.36 110.24 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.06 -40.83 97.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.026 -0.988 . . . . 0.37 111.644 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 48' ' ' ILE . 2.1 p -71.44 -27.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.796 0.331 . . . . 0.2 110.74 -174.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HA ' ' OG1' ' A' ' 55' ' ' THR . 71.7 ttt180 -59.94 -23.65 63.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.03 -0.532 . . . . 4.1 110.983 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.81 -25.1 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 1.91 110.78 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 50.3 m-70 -86.39 -35.39 19.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.496 -0.775 . . . . 0.63 110.462 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 52' ' ' ARG . 20.1 p -78.1 -46.63 20.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.457 . . . . 1.63 111.709 -175.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.85 -153.35 6.28 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.716 -0.754 . . . . 2.33 111.978 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -130.6 167.28 18.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.628 0.251 . . . . 4.44 110.511 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.298 -0.858 . . . . 8.74 110.22 -178.534 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 121.075 0.464 . . . . 4.57 110.379 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -81.1 156.49 19.98 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.109 2.54 . . . . 2.69 112.257 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.6 t -108.13 128.16 54.44 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.673 -0.491 . . . . 2.13 109.673 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' C ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -123.63 167.51 13.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.042 -0.526 . . . . 2.12 110.386 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.57 ' HB2' HD11 ' A' ' 47' ' ' LEU . 47.5 t -63.26 92.25 0.06 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.3 109.285 175.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.97 -13.87 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.808 0.337 . . . . 1.55 111.774 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.7 -46.05 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 2.01 111.767 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 p -121.27 -29.37 4.51 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.744 -0.783 . . . . 0.36 112.151 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.33 -2.1 25.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.42 112.977 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.68 138.82 50.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.213 0.507 . . . . 2.21 110.447 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.1 122.95 39.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.94 0.4 . . . . 0.49 111.552 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 67.5 m-85 -107.24 137.27 45.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 0.61 109.584 175.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -69.29 -21.52 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 1.72 111.057 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -98.99 119.12 37.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.387 0.613 . . . . 2.49 109.716 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.35 -42.14 81.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.784 -1.098 . . . . 0.5 112.682 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.778 ' HA ' HD12 ' A' ' 48' ' ' ILE . 18.1 m -77.62 -29.41 51.82 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.033 -0.667 . . . . 1.29 112.206 -172.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -58.96 -41.03 86.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.109 -1.071 . . . . 1.13 108.109 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 34' ' ' CYS . 30.8 tp -66.01 -44.41 84.86 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.59 -1.186 . . . . 1.23 111.379 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 45' ' ' SER . 49.6 mt -55.35 -43.88 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.132 0.491 . . . . 0.89 110.388 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.9 98.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.546 0.688 . . . . 0.36 109.785 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -64.11 -42.73 96.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.606 -1.179 . . . . 0.37 111.966 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 48' ' ' ILE . 4.0 p -69.01 -28.59 40.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.794 0.331 . . . . 0.2 110.516 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -72.87 -16.49 61.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.039 -0.528 . . . . 4.1 110.842 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 1.91 110.018 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 73.0 m-70 -78.56 -9.54 59.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.219 -0.9 . . . . 0.63 110.766 -177.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.9 m -69.42 -32.67 71.8 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.382 0.61 . . . . 1.63 109.371 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.63 -121.12 3.45 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.667 -0.973 . . . . 2.33 110.667 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -130.55 161.93 30.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.762 -0.458 . . . . 4.44 109.762 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.573 -0.727 . . . . 8.74 109.917 -178.871 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 55.4 mttp . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.661 0.267 . . . . 4.57 110.383 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 2.7 Cg_exo -75.06 127.37 10.59 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.761 2.308 . . . . 2.69 111.731 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 44' ' ' ALA . 6.9 p -113.36 136.36 52.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.139 -0.482 . . . . 2.13 109.947 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.621 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 26.3 mp0 -93.74 136.21 34.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.096 0.474 . . . . 2.12 111.574 -175.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.653 ' HB2' HD11 ' A' ' 47' ' ' LEU . 43.1 t -61.62 94.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.287 -1.005 . . . . 0.3 108.287 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -53.99 -20.48 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.033 0.444 . . . . 1.55 111.714 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.9 mmm -73.85 -40.96 62.89 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.201 -0.454 . . . . 2.01 112.078 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 21.3 p -121.29 -30.06 4.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.546 -0.862 . . . . 0.36 112.793 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.25 -4.96 25.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.489 -0.862 . . . . 0.42 113.4 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -80.77 133.64 35.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.218 0.509 . . . . 2.21 110.692 -179.219 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.621 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -103.69 144.25 31.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 0.49 112.58 -171.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 34.9 m-85 -130.32 142.89 50.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.349 -0.841 . . . . 0.61 109.533 171.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 31' ' ' PRO . 18.6 p -73.82 -25.77 60.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 1.72 110.842 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -102.5 120.61 40.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 2.49 109.836 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.684 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.1 -42.51 98.64 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.04 -0.982 . . . . 0.5 112.264 -175.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.67 ' HA ' HG12 ' A' ' 48' ' ' ILE . 16.4 m -77.13 -29.16 54.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.037 -0.665 . . . . 1.29 111.731 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -61.05 -40.39 93.46 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 1.13 108.297 171.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' A' ' 34' ' ' CYS . 36.7 tp -64.24 -38.48 91.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.998 -1.001 . . . . 1.23 110.889 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.684 HG12 ' O ' ' A' ' 44' ' ' ALA . 41.3 mm -55.52 -43.79 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.911 0.386 . . . . 0.89 110.835 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.78 96.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.482 0.658 . . . . 0.36 109.889 177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.68 -44.78 92.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.03 -0.986 . . . . 0.37 111.29 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.548 HG23 ' SG ' ' A' ' 34' ' ' CYS . 1.3 p -70.59 -27.54 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.8 0.333 . . . . 0.2 110.515 -177.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -61.32 -26.9 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.301 -0.409 . . . . 4.1 110.97 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -61.3 -31.78 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.272 0.558 . . . . 1.91 110.716 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 69.4 m-70 -83.24 -19.02 37.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.258 -0.883 . . . . 0.63 110.315 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m -70.53 -38.74 74.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.794 -0.639 . . . . 1.63 111.28 -175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.21 -173.46 26.49 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.744 -0.741 . . . . 2.33 111.68 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -98.82 173.32 6.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.961 0.41 . . . . 4.44 110.943 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 35.0 ttpt . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.434 -0.794 . . . . 8.74 110.125 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.5 mttm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.227 -0.286 . . . . 4.57 110.227 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.94 120.81 8.13 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.652 2.235 . . . . 2.69 112.163 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.1 m -116.32 128.82 55.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.134 0.492 . . . . 2.13 111.376 -177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.487 HE21 ' N ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -126.86 153.94 45.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 2.12 109.369 176.44 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 24.0 t -63.44 94.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.17 -0.678 . . . . 0.3 109.17 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.2 t -49.17 -30.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 123.409 0.443 . . . . 1.55 111.945 -176.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 24.2 mmt -74.09 -40.55 62.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.043 0.757 . . . . 2.01 113.043 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.5 p -120.66 -7.14 9.65 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.319 -0.952 . . . . 0.36 112.253 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.54 -5.97 83.47 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.348 -0.453 . . . . 0.42 114.143 174.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 13.1 mptt -85.16 135.81 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.368 0.584 . . . . 2.21 110.414 -176.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . . . -115.59 155.0 28.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.066 0.46 . . . . 0.49 111.676 -174.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -126.85 174.3 8.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.61 109.993 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 t -79.11 -31.43 44.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.4 . . . . 1.72 111.028 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HB3' ' OG ' ' A' ' 46' ' ' SER . 8.7 tp-100 -105.71 123.92 48.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.532 0.682 . . . . 2.49 110.904 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -57.86 -38.72 76.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.919 -1.037 . . . . 0.5 112.137 -177.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.536 ' HA ' HD12 ' A' ' 48' ' ' ILE . 28.1 m -78.21 -33.6 49.86 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.267 -0.573 . . . . 1.29 112.359 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.466 ' OG ' ' HB3' ' A' ' 43' ' ' GLN . 10.5 p -67.73 -33.99 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.617 -0.883 . . . . 1.13 108.617 174.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 1.7 tm? -57.24 -56.34 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.575 -1.193 . . . . 1.23 109.87 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 44' ' ' ALA . 36.3 mt -55.56 -41.25 63.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.715 -0.675 . . . . 0.89 111.183 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.8 93.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.563 0.697 . . . . 0.36 109.806 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.455 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 22.5 t60 -64.7 -42.8 95.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.802 -1.09 . . . . 0.37 111.432 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 48' ' ' ILE . 5.2 p -69.54 -28.65 38.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 0.2 110.635 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -68.71 -22.76 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 4.1 110.474 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.85 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -63.72 -35.19 79.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.222 -0.444 . . . . 1.91 110.715 175.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 44.2 m-70 -76.74 -23.47 53.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.042 -0.526 . . . . 0.63 110.037 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.3 m -65.96 -25.27 67.04 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.364 0.602 . . . . 1.63 109.758 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.73 -118.76 5.44 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.639 -0.709 . . . . 2.33 112.909 172.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -116.52 142.73 46.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.004 0.43 . . . . 4.44 111.131 -175.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 9.2 mtmp? . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.529 -0.748 . . . . 8.74 110.191 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 120.712 0.292 . . . . 4.57 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.18 120.55 7.52 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.11 1.873 . . . . 2.69 110.501 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.6 m -108.08 118.67 37.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.146 0.498 . . . . 2.13 110.856 -172.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.576 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 18.2 mp0 -115.55 171.45 7.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.314 -0.857 . . . . 2.12 109.123 176.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.415 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 15.9 t -71.49 89.94 0.97 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.432 -1.321 . . . . 0.3 107.432 167.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -50.43 -26.77 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 1.55 111.735 -172.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -77.15 -31.7 55.75 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.897 0.703 . . . . 2.01 112.897 -176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 17.9 p -121.3 -28.41 4.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.362 -0.935 . . . . 0.36 112.166 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.14 -15.28 28.13 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.978 -0.63 . . . . 0.42 113.211 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.9 132.73 39.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.019 0.409 . . . . 2.21 110.619 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.269 -0.423 . . . . 0.49 111.096 -176.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' H ' HD23 ' A' ' 47' ' ' LEU . 70.4 m-85 -110.24 170.47 8.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.706 -0.479 . . . . 0.61 109.706 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.564 HG23 ' HG2' ' A' ' 43' ' ' GLN . 9.3 t -75.82 -39.7 56.28 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.012 -0.275 . . . . 1.72 111.25 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.564 ' HG2' HG23 ' A' ' 42' ' ' THR . 30.8 mm-40 -101.46 127.58 48.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 2.49 110.717 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.671 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -56.95 -40.89 77.3 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 114.675 -1.148 . . . . 0.5 113.33 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.3 m -79.13 -29.14 43.0 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.114 -0.634 . . . . 1.29 111.467 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 m -59.2 -43.38 92.25 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.172 -1.047 . . . . 1.13 108.172 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 41' ' ' PHE . 1.5 tm? -56.68 -55.92 27.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.016 -1.447 . . . . 1.23 110.42 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.1 mm -52.6 -44.59 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 0.89 111.469 -178.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.44 94.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.493 0.663 . . . . 0.36 110.318 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.426 ' CG ' ' HE2' ' A' ' 41' ' ' PHE . 26.1 t60 -64.56 -42.14 95.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.098 -0.956 . . . . 0.37 111.374 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 48' ' ' ILE . 5.3 p -67.05 -27.96 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 0.2 110.752 -175.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 5.2 tmm_? -59.39 -28.85 67.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 4.1 110.149 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.635 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -62.04 -36.2 80.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.91 111.405 179.407 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.661 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 49.6 m-70 -79.87 -27.66 40.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.63 109.978 178.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 m -64.87 -49.77 69.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.575 . . . . 1.63 109.616 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.44 -152.96 25.73 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.557 -0.747 . . . . 2.33 111.647 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.51 153.24 20.51 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.552 0.215 . . . . 4.44 110.665 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.3 pttm . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.534 -0.746 . . . . 8.74 110.778 179.609 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 14.3 mmmm . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.168 -0.308 . . . . 4.57 110.168 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 26.6 Cg_exo -63.15 138.27 66.12 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.738 2.292 . . . . 2.69 111.267 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.2 t -108.62 119.39 39.37 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.036 -0.357 . . . . 2.13 110.036 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -108.07 140.69 40.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.911 -0.586 . . . . 2.12 111.498 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.1 t -69.86 90.1 0.6 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.006 -1.109 . . . . 0.3 108.006 167.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 t -47.96 -30.22 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.03 0.443 . . . . 1.55 112.024 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 36' ' ' MET . 1.2 mpt? -69.08 -40.1 78.65 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.472 0.545 . . . . 2.01 112.472 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 18.6 p -120.2 -22.04 6.75 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.472 -0.891 . . . . 0.36 112.148 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.1 -7.27 56.84 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.414 -0.422 . . . . 0.42 113.203 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.51 128.97 36.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.9 0.35 . . . . 2.21 111.118 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.0 133.82 54.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 0.49 110.037 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -106.49 173.64 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.214 -0.194 . . . . 0.61 111.209 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.0 m -70.34 -40.65 74.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.117 0.485 . . . . 1.72 110.668 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -101.1 119.99 39.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 2.49 110.507 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.704 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -57.91 -40.64 80.85 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.084 -0.962 . . . . 0.5 112.063 -176.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 p -74.83 -33.24 62.14 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.599 -0.441 . . . . 1.29 111.234 -176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -38.85 88.79 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.609 -0.886 . . . . 1.13 108.609 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 2.4 tm? -58.52 -54.1 50.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.712 -1.131 . . . . 1.23 109.949 174.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.704 HG12 ' O ' ' A' ' 44' ' ' ALA . 25.1 mm -52.78 -43.94 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 0.89 111.118 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.396 0.617 . . . . 0.36 110.342 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -65.08 -42.14 94.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.983 -1.008 . . . . 0.37 111.549 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 48' ' ' ILE . 7.9 p -66.85 -28.46 43.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.006 0.431 . . . . 0.2 110.434 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.48 ' O ' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.7 -19.65 65.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.692 -0.685 . . . . 4.1 110.856 179.219 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -71.68 -37.92 70.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.263 -0.426 . . . . 1.91 110.874 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 38.9 m-70 -67.72 -27.55 66.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.63 110.556 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.7 p -91.78 14.63 14.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.297 0.57 . . . . 1.63 110.734 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.44 -80.2 0.85 Allowed Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.39 -0.823 . . . . 2.33 111.9 174.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -132.31 176.64 8.24 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.211 -0.495 . . . . 4.44 110.517 -174.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.1 mttm . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.207 -0.901 . . . . 8.74 110.088 177.089 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 62.8 mttm . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.776 -0.453 . . . . 4.57 109.776 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 18.6 Cg_exo -66.83 128.42 18.82 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.282 1.988 . . . . 2.69 110.955 174.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 78.2 m -111.1 131.09 55.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.241 0.543 . . . . 2.13 111.904 -175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 11.7 pt20 -127.48 154.14 45.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.276 -0.875 . . . . 2.12 108.919 174.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' SG ' HG23 ' A' ' 51' ' ' VAL . 53.1 t -60.14 106.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.934 -0.575 . . . . 0.3 109.816 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.44 -19.53 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.272 -0.422 . . . . 1.55 111.582 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 54' ' ' HIS . 15.2 tpt -85.5 -41.23 15.52 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.47 0.544 . . . . 2.01 112.47 -176.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.2 p -120.26 -1.34 10.28 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.406 -0.918 . . . . 0.36 112.275 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.17 15.25 81.76 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.309 -0.472 . . . . 0.42 114.101 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -100.87 130.81 46.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.367 0.584 . . . . 2.21 110.881 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . . . -103.58 162.64 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 0.49 111.352 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' HD2' HD22 ' A' ' 47' ' ' LEU . 82.6 m-85 -135.6 151.14 49.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.837 -0.62 . . . . 0.61 109.895 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -73.07 -19.62 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 1.72 111.001 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -114.68 121.1 42.34 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.236 0.541 . . . . 2.49 109.717 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.7 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -52.86 -34.98 56.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.867 -1.06 . . . . 0.5 112.191 -177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -76.52 -36.98 57.43 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.634 -0.427 . . . . 1.29 111.617 -175.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 m -60.03 -38.8 83.76 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.931 -0.766 . . . . 1.13 108.931 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.576 HD22 ' HD2' ' A' ' 41' ' ' PHE . 1.3 tm? -56.44 -57.48 12.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.379 -1.282 . . . . 1.23 109.876 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.7 HG12 ' O ' ' A' ' 44' ' ' ALA . 26.8 mm -57.71 -40.94 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.73 . . . . 0.89 110.866 -177.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.02 88.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.405 0.622 . . . . 0.36 110.022 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -65.67 -40.7 92.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.953 -1.021 . . . . 0.37 111.697 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 48' ' ' ILE . 5.7 p -71.5 -29.27 34.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.889 -0.324 . . . . 0.2 110.747 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -69.02 -16.52 63.74 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 120.72 0.295 . . . . 4.1 111.051 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.76 -39.0 80.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 1.91 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.433 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 36.9 m-70 -72.92 -26.04 61.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.6 . . . . 0.63 109.978 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -111.47 22.31 15.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.508 0.671 . . . . 1.63 110.219 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.1 -130.86 3.06 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.634 -0.712 . . . . 2.33 112.229 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -130.43 157.88 41.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.235 0.54 . . . . 4.44 111.71 -174.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.283 -0.865 . . . . 8.74 109.193 171.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.017 -0.364 . . . . 4.57 110.017 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.495 ' HG2' HE22 ' A' ' 33' ' ' GLN . 98.8 Cg_endo -81.26 143.15 13.81 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.348 2.032 . . . . 2.69 111.846 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 8.4 t -109.26 121.92 46.22 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.846 -0.798 . . . . 2.13 108.846 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.541 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 27.0 mp0 -94.17 132.14 39.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.888 0.375 . . . . 2.12 111.499 -174.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.582 ' HB2' HD11 ' A' ' 47' ' ' LEU . 33.9 t -61.2 102.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.849 -1.167 . . . . 0.3 107.849 167.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.5 -13.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 112.554 0.575 . . . . 1.55 112.554 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.442 ' HG3' ' HB2' ' A' ' 54' ' ' HIS . 26.3 mmt -94.88 -36.28 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.539 0.57 . . . . 2.01 112.539 -175.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.632 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 15.4 p -121.63 -16.55 7.71 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.642 -0.823 . . . . 0.36 112.348 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -20.03 45.21 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.608 -0.806 . . . . 0.42 113.777 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 71.8 mmtt -56.81 120.78 8.45 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 117.122 0.461 . . . . 2.21 111.576 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -105.12 133.14 50.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.97 -0.559 . . . . 0.49 111.0 -177.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.649 ' HD2' HD13 ' A' ' 47' ' ' LEU . 86.4 m-85 -117.92 158.46 24.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.61 110.147 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -77.03 -29.29 55.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.883 -0.599 . . . . 1.72 110.498 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -108.01 115.79 30.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.835 -0.62 . . . . 2.49 109.481 175.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.718 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.81 -27.33 69.1 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.445 -0.798 . . . . 0.5 111.437 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -73.88 -38.9 64.27 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.698 -0.401 . . . . 1.29 111.449 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 m -62.88 -37.06 85.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.56 -0.904 . . . . 1.13 108.56 174.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.649 HD13 ' HD2' ' A' ' 41' ' ' PHE . 53.7 tp -61.86 -39.03 90.47 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.431 -1.259 . . . . 1.23 111.76 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.718 HG12 ' O ' ' A' ' 44' ' ' ALA . 27.1 mm -55.47 -44.1 74.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.762 0.315 . . . . 0.89 111.024 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.12 96.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.558 0.694 . . . . 0.36 109.57 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -60.28 -46.2 90.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.712 -1.131 . . . . 0.37 111.562 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -69.83 -27.83 34.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.833 0.349 . . . . 0.2 111.029 -175.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HA ' ' OG1' ' A' ' 55' ' ' THR . 62.3 ttt180 -64.98 -21.37 66.83 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.167 0.508 . . . . 4.1 110.573 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.61 -38.38 90.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.704 -0.68 . . . . 1.91 110.852 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.632 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 47.1 m-70 -83.03 -24.59 32.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.63 110.946 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 52' ' ' ARG . 1.3 p -79.63 -8.07 58.96 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.685 -0.406 . . . . 1.63 111.572 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.3 -139.69 6.74 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.396 -0.682 . . . . 2.33 111.396 173.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.02 158.47 15.41 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 110.136 -0.32 . . . . 4.44 110.136 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 tttp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.623 -0.703 . . . . 8.74 111.014 -177.089 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.282 -0.266 . . . . 4.57 110.282 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -86.24 120.12 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.515 2.144 . . . . 2.69 112.14 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.4 m -107.73 119.72 40.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.354 -0.384 . . . . 2.13 110.048 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 98.5 mt-30 -106.59 138.12 43.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.738 -0.665 . . . . 2.12 110.854 -177.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.594 ' HB2' HD11 ' A' ' 47' ' ' LEU . 49.7 t -59.07 107.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.628 -0.879 . . . . 0.3 108.628 169.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.73 -11.52 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 113.264 0.838 . . . . 1.55 113.264 -172.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -100.78 -35.15 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.112 0.782 . . . . 2.01 113.112 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 16.1 p -120.86 -19.15 7.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.314 -0.955 . . . . 0.36 112.079 -176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 -14.63 58.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.42 113.318 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 33.4 tptt -54.19 119.24 4.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 117.308 0.554 . . . . 2.21 110.863 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -106.34 120.34 41.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.525 . . . . 0.49 111.266 -177.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.605 ' HD2' HD13 ' A' ' 47' ' ' LEU . 77.7 m-85 -106.79 138.1 43.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.469 -0.567 . . . . 0.61 109.469 174.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -65.42 -21.53 66.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 1.72 111.022 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -111.42 118.88 37.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.366 -0.605 . . . . 2.49 109.366 173.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.659 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -62.75 -38.71 91.63 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.322 -0.854 . . . . 0.5 112.197 -172.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.556 ' HA ' HG12 ' A' ' 48' ' ' ILE . 41.3 t -72.3 -28.07 62.86 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.277 -0.569 . . . . 1.29 111.684 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 t -64.53 -42.02 96.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.781 -1.192 . . . . 1.13 107.781 172.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.605 HD13 ' HD2' ' A' ' 41' ' ' PHE . 49.9 tp -61.04 -38.99 88.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.546 -1.206 . . . . 1.23 111.637 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.659 HG12 ' O ' ' A' ' 44' ' ' ALA . 32.8 mm -53.52 -43.17 52.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.775 0.321 . . . . 0.89 111.228 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.31 97.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.437 0.637 . . . . 0.36 109.877 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.642 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 16.1 t60 -63.13 -44.5 95.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.905 -1.043 . . . . 0.37 111.41 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.1 p -67.51 -26.59 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 0.2 110.82 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -65.66 -16.75 64.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.184 -0.462 . . . . 4.1 111.054 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.642 ' HB3' ' O ' ' A' ' 50' ' ' HIS . 5.5 tt0 -64.02 -37.18 86.48 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 123.106 0.562 . . . . 1.91 110.812 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 37.2 m-70 -86.88 -16.38 36.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.795 -0.639 . . . . 0.63 110.724 -174.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 p -99.19 -33.14 10.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.145 0.498 . . . . 1.63 111.228 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.37 164.23 13.7 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.905 -0.589 . . . . 2.33 112.012 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -115.34 108.49 16.61 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.214 0.53 . . . . 4.44 111.142 -175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm . . . . . 0 C--N 1.311 -1.099 0 CA-C-O 118.386 -0.816 . . . . 8.74 109.532 175.57 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 13.7 mmmm . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.603 0.239 . . . . 4.57 110.55 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 15.7 Cg_exo -69.17 136.26 34.1 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.531 2.154 . . . . 2.69 111.236 175.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.4 m -108.95 130.23 55.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.004 0.43 . . . . 2.13 110.842 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.561 ' HG3' ' HB2' ' A' ' 40' ' ' ALA . 2.3 mp0 -96.92 153.49 17.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.674 -0.694 . . . . 2.12 110.005 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.0 t -69.42 95.82 0.84 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.68 -1.23 . . . . 0.3 107.68 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -52.56 -18.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.278 0.844 . . . . 1.55 113.278 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.9 mmm -91.87 -32.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.94 0.719 . . . . 2.01 112.94 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 15.9 p -121.99 -10.85 8.58 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.285 -0.966 . . . . 0.36 112.611 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.91 -9.39 76.78 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 121.145 -0.55 . . . . 0.42 113.586 177.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.9 mptt -65.94 132.36 48.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.285 0.543 . . . . 2.21 110.936 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . . . -120.57 120.88 37.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.935 0.398 . . . . 0.49 110.723 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.61 ' H ' HD23 ' A' ' 47' ' ' LEU . 77.7 m-85 -98.99 151.26 21.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.61 110.487 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -67.44 -20.56 65.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.429 -0.805 . . . . 1.72 111.058 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -106.71 117.71 34.77 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.24 -0.652 . . . . 2.49 109.24 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.686 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -63.21 -41.03 99.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 0.5 112.228 -175.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -73.74 -31.99 63.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.498 -0.481 . . . . 1.29 111.21 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -65.05 -37.66 88.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.435 -0.95 . . . . 1.13 108.435 174.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.61 HD23 ' H ' ' A' ' 41' ' ' PHE . 1.6 tm? -58.01 -53.62 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.627 -1.169 . . . . 1.23 110.027 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 44' ' ' ALA . 28.2 mm -53.49 -43.62 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.787 -0.642 . . . . 0.89 111.071 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.32 97.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.619 0.724 . . . . 0.36 110.261 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -64.97 -38.57 91.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.94 -1.027 . . . . 0.37 111.647 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.1 p -69.66 -27.62 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.073 -0.392 . . . . 0.2 110.851 -176.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -68.33 -18.71 64.57 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.281 -0.418 . . . . 4.1 111.11 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.53 -38.58 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 1.91 110.745 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 37' ' ' CYS . 45.2 m-70 -73.19 -16.15 61.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.63 110.321 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 p -109.06 25.74 11.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.256 0.55 . . . . 1.63 110.459 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.47 -134.15 2.77 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.326 -0.852 . . . . 2.33 112.326 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -97.7 140.93 31.37 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.01 0.433 . . . . 4.44 111.229 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.654 -0.689 . . . . 8.74 110.171 179.52 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 22.1 pttm . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.666 0.269 . . . . 4.57 110.678 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 16.6 Cg_exo -67.83 134.36 32.1 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.993 2.462 . . . . 2.69 111.953 178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.5 t -112.0 170.52 8.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.449 . . . . 2.13 109.961 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.614 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 20.1 mt-30 -108.75 170.07 8.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.118 -0.492 . . . . 2.12 110.178 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.595 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.3 t -55.59 106.84 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.627 -0.879 . . . . 0.3 108.627 169.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 m -60.31 -3.99 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 112.683 0.624 . . . . 1.55 112.683 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.7 mmt -99.65 -44.95 5.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.716 -0.22 . . . . 2.01 111.554 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB3' ' HE1' ' A' ' 54' ' ' HIS . 17.3 p -120.29 -22.86 6.39 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 119.762 -0.775 . . . . 0.36 112.573 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 -4.35 52.32 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.796 -0.716 . . . . 0.42 113.392 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 14.7 tptm -56.95 125.56 23.12 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.275 0.538 . . . . 2.21 110.536 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -106.69 143.85 34.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.383 -0.371 . . . . 0.49 111.42 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.692 ' HD2' HD13 ' A' ' 47' ' ' LEU . 75.7 m-85 -136.23 153.71 51.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.946 -0.57 . . . . 0.61 109.469 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -81.66 -19.19 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.261 0.553 . . . . 1.72 110.435 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.928 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -110.52 119.78 40.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.758 -0.655 . . . . 2.49 109.85 177.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.632 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.36 -45.24 95.2 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.924 -1.035 . . . . 0.5 113.106 -170.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.728 ' HA ' HG12 ' A' ' 48' ' ' ILE . 63.7 p -81.32 -19.45 42.84 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.868 -0.733 . . . . 1.29 111.423 -173.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 m -62.4 -43.31 99.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.821 -1.177 . . . . 1.13 107.821 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.692 HD13 ' HD2' ' A' ' 41' ' ' PHE . 50.2 tp -66.1 -37.68 86.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.73 -1.123 . . . . 1.23 111.196 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.728 HG12 ' HA ' ' A' ' 45' ' ' SER . 43.4 mm -57.76 -44.58 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.89 110.495 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.06 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.476 0.655 . . . . 0.36 109.518 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.89 -51.35 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.894 -1.048 . . . . 0.37 111.464 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 48' ' ' ILE . 3.0 p -65.13 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.688 0.28 . . . . 0.2 111.116 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -69.91 -17.52 63.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 4.1 110.896 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.87 -27.67 67.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.021 0.439 . . . . 1.91 111.027 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.463 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 46.4 m-70 -77.03 -17.54 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.573 . . . . 0.63 109.905 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -104.29 29.45 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.048 -0.723 . . . . 1.63 109.048 171.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.88 -151.85 5.24 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.995 -1.002 . . . . 2.33 113.369 -175.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -86.83 167.36 14.44 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.962 -0.619 . . . . 4.44 111.087 -174.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.64 -0.695 . . . . 8.74 110.192 178.515 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_